data_2xxs_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 2xxs _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' LEU . . . . . 0.623 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.546 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -67.4 165.0 32.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.1 Cg_endo -75.0 50.56 2.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 22.4 m-85 -141.7 162.01 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' HB3' ' A' ' 101' ' ' LYS . 5.5 ptp180 -150.54 152.74 34.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -102.66 144.99 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.12 114.88 12.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.479 ' CG1' ' OD2' ' A' ' 55' ' ' ASP . 51.0 t -107.74 110.73 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.28 133.11 53.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' N ' HD11 ' A' ' 13' ' ' LEU . 6.2 mp -101.12 153.57 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -73.2 -21.54 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -68.29 -7.08 27.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.74 23.75 9.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.98 163.21 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -167.11 128.65 1.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.7 167.47 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -137.21 132.65 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 92.9 m-85 -118.28 156.29 50.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.39 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.631 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.2 132.53 43.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.623 ' CE2' ' CD1' ' A' ' 4' ' ' LEU . 4.0 m-85 -119.07 149.92 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -73.02 120.18 18.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.2 -153.67 23.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.51 107.5 15.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -98.0 157.66 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 47' ' ' PRO . 7.3 tt -139.52 152.71 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 31' ' ' VAL . 4.1 mt -129.08 145.65 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.435 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -115.11 138.63 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -129.55 115.84 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 103.69 -156.53 17.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -83.47 -3.16 57.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 29' ' ' LEU . 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 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.31 -19.83 18.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -148.45 120.25 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -111.66 112.76 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.617 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -107.92 109.42 62.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.515 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 164.02 34.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.425 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 19.0 t -133.16 76.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.8 p -78.06 4.01 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.479 ' OD2' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -92.72 16.32 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 p -120.87 145.54 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -6.95 47.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 176.14 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.505 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 2.0 m-20 -117.71 167.4 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.66 172.36 12.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 62' ' ' ILE . 3.1 mp -140.71 138.39 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 10.9 mt -113.96 163.63 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.602 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 79.5 m-85 -130.49 141.61 50.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -149.04 125.88 11.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -123.77 135.62 53.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 23' ' ' LEU . 28.0 pt -129.41 139.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -103.93 152.18 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.71 -15.98 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -81.94 4.55 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 69' ' ' ASP . 7.9 m-80 74.9 41.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -115.07 104.65 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.1 p -95.53 155.67 16.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -157.66 111.75 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' A' ' 84' ' ' ILE . 15.5 m-85 -92.78 159.65 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -173.94 137.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -82.26 159.9 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.25 -14.09 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -1.82 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.03 27.79 51.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' SER . 1.1 tt0 -118.25 137.21 53.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 11.3 pt20 -82.56 121.71 27.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.58 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -68.97 119.81 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.658 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 1.6 tt -152.6 161.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.432 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 42.3 m-20 -149.76 159.58 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -10.42 39.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -51.21 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 1.2 m-85 -117.86 -26.55 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 88' ' ' PHE . 41.5 t-20 34.35 41.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 p -140.14 162.17 35.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.584 ' HE1' ' CE2' ' A' ' 91' ' ' PHE . 3.8 p90 -165.26 162.06 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -118.69 128.28 54.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.62 ' HE2' ' CE1' ' A' ' 93' ' ' TYR . 1.4 t80 -149.51 140.12 22.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.475 ' OD2' ' CD1' ' A' ' 32' ' ' LEU . 25.9 m-20 60.09 20.07 9.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.41 -26.21 12.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 97' ' ' SER . 2.3 mp -69.41 163.27 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -128.6 100.14 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -91.21 149.49 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -155.86 121.37 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.493 ' CD1' HD23 ' A' ' 64' ' ' LEU . 6.9 mt -96.25 106.57 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -70.73 165.06 49.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.95 51.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.625 ' HE1' ' CE2' ' A' ' 7' ' ' PHE . 34.3 m-85 -142.78 174.76 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.91 145.39 7.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CG ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -94.85 146.16 24.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.93 118.99 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 96' ' ' ILE . 20.9 t -113.41 111.91 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.57 132.08 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp -92.82 154.96 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -74.97 -19.86 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -68.96 -6.37 27.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.57 9.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.14 164.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -157.52 128.21 2.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.05 166.75 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 138.81 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 96.4 m-85 -123.98 156.19 66.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.64 32.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.504 1.791 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.2 tm? -117.95 135.58 54.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.579 ' CE2' HD13 ' A' ' 4' ' ' LEU . 6.8 m-85 -118.75 154.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.588 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -83.32 117.19 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.92 -154.93 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -74.74 128.43 35.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' LEU . 97.1 m-20 -131.38 156.29 45.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 9.5 tp -135.02 153.56 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' HG22 ' A' ' 53' ' ' VAL . 2.4 mp -128.59 139.31 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.487 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -106.18 147.67 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -132.27 123.86 27.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.2 -155.98 29.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.04 1.66 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 0.833 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' HD13 ' A' ' 61' ' ' ILE . 3.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.19 -21.17 50.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -171.06 136.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 40.8 mt -113.77 148.66 16.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.671 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -136.88 111.3 9.45 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' VAL . 47.3 t -133.1 62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -76.46 4.35 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -87.75 15.81 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.6 t -121.62 152.13 39.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -86.91 -9.13 56.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.52 168.91 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -122.27 153.79 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 157.81 -172.63 35.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.416 1.073 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CD1' ' CG1' ' A' ' 31' ' ' VAL . 15.5 mm -137.1 166.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.6 mt -149.8 163.13 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.647 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 9.2 m-85 -126.71 146.35 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -147.26 112.72 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 113.76 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -114.14 141.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.537 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 6.0 t -96.48 170.55 9.14 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -81.77 -13.77 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -82.83 8.61 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.9 t30 81.46 46.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 67' ' ' SER . 11.0 mm -110.87 145.55 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.49 118.41 16.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.88 131.69 53.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD1' HG22 ' A' ' 84' ' ' ILE . 28.5 m-85 -106.31 154.89 20.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 166.44 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -104.66 154.88 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -64.84 -11.23 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -76.97 0.3 21.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.52 35.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CB ' ' OD1' ' A' ' 76' ' ' ASP . 13.8 mm-40 -117.5 162.53 17.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -94.9 153.5 17.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.092 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.3 mt -127.87 116.26 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -81.39 120.5 25.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.579 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.82 144.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' ASN . 3.1 m120 -74.05 131.5 41.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -21.12 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.29 -22.32 52.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.77 -24.01 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ASN . 81.7 m-20 39.62 44.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 155.21 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 6.9 p90 -146.21 174.52 11.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -132.67 143.37 49.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.635 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 7.8 t80 -162.43 145.59 11.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 54.76 21.97 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.59 -28.11 7.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -70.51 161.58 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -117.41 142.6 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.642 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 3.4 m-85 -124.53 152.61 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -156.42 122.76 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 9' ' ' LEU . 2.0 mm? -102.99 108.73 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 tttt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.579 HD11 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -61.71 152.03 76.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 48.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . 8.3 m-85 -133.99 165.65 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.449 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.5 mtt180 -153.59 149.97 28.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' HD12 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -93.0 151.32 19.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -135.21 136.67 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.354 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG1' ' OD2' ' A' ' 55' ' ' ASP . 3.0 t -136.89 108.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -109.42 135.58 50.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 7.8 mp -98.96 155.21 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -69.52 -23.87 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -68.63 -6.82 28.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 24.89 10.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.06 162.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -161.39 150.31 19.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.9 163.35 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' CB ' HD23 ' A' ' 10' ' ' LEU . 1.5 mp0 -141.3 152.21 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 12.0 m-85 -146.87 157.06 47.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.94 -170.6 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -174.3 140.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.641 ' HE1' ' CE2' ' A' ' 24' ' ' TYR . 5.3 m-85 -109.92 142.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -57.35 118.89 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.26 -155.73 23.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.9 m-80 -71.58 126.81 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -125.01 156.86 37.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.5 mt -133.32 148.22 51.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 53' ' ' VAL . 41.2 mt -126.25 104.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.88 152.73 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.077 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -132.25 121.81 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.587 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.23 -156.02 51.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.71 0.83 45.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.453 HG23 ' CG1' ' A' ' 61' ' ' ILE . 22.0 m . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.07 -0.396 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.3 tp10 -76.1 -24.38 55.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 24' ' ' TYR . 23.5 t30 178.21 131.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 51' ' ' ILE . 14.2 mt -111.41 144.35 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.495 HG13 ' CB ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -136.14 113.42 10.52 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.05 151.25 39.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 30' ' ' ILE . 32.0 t -122.45 69.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -78.14 4.23 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.484 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 4.2 p30 -87.92 15.34 7.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -113.41 138.14 50.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -7.35 38.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 -176.0 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.921 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.587 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 29.1 p30 -126.66 174.08 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.81 -171.7 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.453 ' CG1' HG23 ' A' ' 35' ' ' THR . 19.9 mm -141.57 151.04 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 0.8 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.3 mt -139.98 163.85 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 13.7 m-85 -128.63 142.32 51.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -148.96 117.89 6.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 ' N ' HD13 ' A' ' 64' ' ' LEU . 18.1 m -118.09 136.2 53.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -132.76 115.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.14 155.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -61.9 -14.49 34.63 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 66.4 m-20 -84.05 1.6 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.2 t-20 79.66 35.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 36.1 mm -104.35 103.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.4 p -93.03 151.9 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.1 120.56 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 12.9 m-85 -101.71 155.08 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.426 ' OG ' ' C ' ' A' ' 80' ' ' GLU . 3.1 t -163.59 150.94 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.438 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -91.58 157.74 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.39 -14.76 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 -3.64 27.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.94 26.61 44.37 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.426 ' C ' ' OG ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -117.97 129.47 55.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.0 pt20 -74.84 133.41 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG1' ' OD2' ' A' ' 76' ' ' ASP . 5.7 mt -100.53 131.79 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -84.32 120.29 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.28 142.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -78.59 104.39 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -58.42 -21.47 50.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.42 -24.41 62.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 88' ' ' PHE . 63.0 m-85 -116.09 -20.57 9.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 43.66 55.32 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -167.02 163.66 15.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.186 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.609 ' HD2' ' CD1' ' A' ' 91' ' ' PHE . 4.0 p90 -155.86 175.38 14.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -135.87 148.71 48.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.655 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 2.5 t80 -166.21 147.19 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 57.54 24.02 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.44 -30.51 5.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.2 mp -66.33 163.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.498 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -123.01 108.99 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' A' ' 53' ' ' VAL . 25.0 m-85 -92.89 158.81 15.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -160.28 132.33 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 9' ' ' LEU . 3.1 mm? -109.36 105.63 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' CB ' ' CG ' ' A' ' 25' ' ' TYR . . . -62.27 166.01 7.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.475 ' C ' ' CD1' ' A' ' 7' ' ' PHE . 18.2 Cg_endo -75.01 48.73 2.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 45.8 m-85 -147.43 157.67 43.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -144.83 147.22 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -95.34 148.45 22.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.65 146.73 38.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.561 HG11 ' CE2' ' A' ' 98' ' ' PHE . 4.7 t -138.88 118.02 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -118.01 134.68 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp -97.73 158.16 15.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -72.97 -22.27 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -6.64 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.28 25.95 9.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.79 160.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -158.22 142.08 8.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.93 165.24 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.83 147.17 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.584 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 65.7 m-85 -137.04 156.08 75.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -74.99 150.41 38.13 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -128.22 128.83 45.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.635 ' HD1' ' CD2' ' A' ' 24' ' ' TYR . 4.2 m-85 -111.66 143.27 42.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.654 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -63.13 129.77 41.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . 125.96 -155.66 19.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.487 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 2.5 m-20 -77.01 129.75 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -131.3 156.16 45.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' CD1' ' HG3' ' A' ' 47' ' ' PRO . 95.6 mt -138.82 150.63 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 19.9 mt -118.27 120.97 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' VAL . 6.4 t -89.64 107.25 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -104.34 96.84 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 132.69 -176.78 19.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -82.31 1.6 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.392 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HG3' ' CD1' ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -169.88 125.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.6 tt -112.45 126.69 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -118.2 108.15 42.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 167.24 27.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.493 ' CG2' HD21 ' A' ' 32' ' ' LEU . 2.8 t -134.37 82.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -78.13 4.1 13.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD2' ' CG1' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -96.24 16.12 19.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.476 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 93.2 p -131.06 148.29 52.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.043 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -9.75 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -77.08 169.67 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.054 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -126.87 138.79 53.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 152.43 174.31 22.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 mp -138.69 122.4 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -94.79 164.07 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.649 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 3.8 m-85 -114.92 142.15 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.14 104.48 3.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 24.5 m -115.29 131.24 56.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 72' ' ' CYS . 1.7 pt -124.8 144.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.503 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -99.44 155.95 17.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -12.0 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.91 18.91 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 67.19 48.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.503 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.5 mp -114.22 151.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 20.2 p -135.43 145.46 47.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -150.48 113.67 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.518 ' CG ' HG23 ' A' ' 84' ' ' ILE . 6.0 m-85 -101.0 154.64 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 1.8 m -162.66 162.78 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.67 160.98 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.6 -16.01 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.17 1.48 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.55 26.61 69.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 3.4 mt-10 -117.66 128.94 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 12.3 pt20 -71.69 134.11 46.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CD1' ' OD2' ' A' ' 76' ' ' ASP . 6.9 mt -100.42 124.75 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -75.09 120.48 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.518 HG23 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.1 134.79 55.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 1.065 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' ASN . 5.2 m120 -59.92 129.88 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -80.67 -26.49 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.3 -16.71 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.491 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 65.0 m-20 42.6 56.77 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.6 p -164.41 -177.5 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 14.6 p90 -170.87 176.02 4.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 3.6 tt0 -139.67 134.54 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.621 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 37.2 t80 -157.37 147.27 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.1 20.94 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.95 -21.14 25.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.592 HG22 ' CZ ' ' A' ' 98' ' ' PHE . 9.3 mt -73.46 164.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -128.31 97.19 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.592 ' CZ ' HG22 ' A' ' 96' ' ' ILE . 59.9 m-85 -91.99 155.81 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -154.66 142.91 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.562 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.485 HD12 ' CG ' ' A' ' 9' ' ' LEU . 3.9 mm? -114.07 105.05 12.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . . . -60.87 152.22 70.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.574 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.94 42.23 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 7' ' ' PHE . 3.1 m-30 -114.46 -176.35 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.19 137.1 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -106.74 141.3 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.8 141.3 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 98' ' ' PHE . 76.5 t -135.58 107.84 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -100.0 131.26 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.531 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -104.65 164.59 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.541 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.35 -20.57 55.68 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -68.92 7.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.75 19.48 71.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.531 ' HB ' ' CD2' ' A' ' 13' ' ' LEU . 45.0 t -103.68 169.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.71 131.3 3.11 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.84 134.11 54.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 27.8 tt0 -111.36 115.5 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 49.2 m-85 -108.09 157.56 35.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.01 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -161.72 146.32 13.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.617 ' HE1' ' CE2' ' A' ' 24' ' ' TYR . 6.5 m-85 -120.88 143.52 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -62.83 113.29 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.69 -154.84 22.31 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 3.5 m120 -72.27 133.81 45.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -132.24 157.21 44.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 50' ' ' ILE . 9.8 tt -131.64 152.64 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 31' ' ' VAL . 15.1 mt -127.59 146.59 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.8 OUTLIER -118.3 140.19 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.387 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -130.29 108.98 10.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.02 -156.42 18.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -82.98 -1.95 53.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.495 ' CG2' HD13 ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.0 tp10 -58.41 -37.78 76.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -174.3 142.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CG2' HD21 ' A' ' 29' ' ' LEU . 3.2 mt -106.44 148.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -134.03 111.54 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.05 163.3 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 22.6 t -133.21 74.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.5 p -78.18 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.66 15.76 9.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 86.7 p -121.11 150.68 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -95.91 -1.9 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.8 m -113.69 172.76 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 1.3 p30 -109.47 177.61 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 131.56 173.24 13.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.495 HD13 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -136.69 149.72 26.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 7.9 mt -129.45 164.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.596 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 15.5 m-85 -125.39 143.91 50.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -149.25 120.45 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 91.8 m -125.59 136.26 53.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.66 141.72 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -104.21 149.85 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -60.27 -15.55 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 44.0 m-20 -81.27 1.8 30.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.0 t-20 79.2 40.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.91 104.47 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.37 153.39 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.262 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.47 118.74 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 16.6 m-85 -93.85 161.96 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.41 165.34 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -109.02 153.72 23.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 3.0 tm-20 -62.57 -12.34 22.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -4.07 27.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.04 25.12 38.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -117.69 162.1 18.59 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.429 0.723 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -90.12 154.61 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.362 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.8 mt -125.31 121.73 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.41 120.52 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.577 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.07 143.87 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ASN . 17.6 m-20 -76.72 126.52 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 t -77.73 -21.06 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.01 -19.36 51.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.615 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -116.34 -24.37 7.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ASN . 79.0 m-20 44.31 38.58 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.86 151.47 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.637 ' HE1' ' CE2' ' A' ' 91' ' ' PHE . 2.5 p90 -142.8 176.33 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -131.09 146.79 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -165.44 139.84 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.57 21.08 8.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.26 -28.9 8.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -66.56 162.38 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -124.4 104.94 9.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.902 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 50.9 m-85 -83.84 159.29 21.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -160.41 116.18 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.565 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 64' ' ' LEU . 7.0 mp -110.3 117.68 34.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.589 ' CB ' ' CD2' ' A' ' 25' ' ' TYR . . . -70.81 163.49 64.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 53.08 3.19 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 41.8 m-85 -142.22 173.17 11.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -160.88 141.93 11.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -91.75 147.04 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.93 114.59 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 96' ' ' ILE . 38.1 t -103.44 107.72 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.56 132.69 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.06 162.93 12.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -73.77 -22.38 59.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -5.48 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.09 25.81 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -95.79 160.55 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.18 103.95 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.78 164.82 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.46 134.02 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 91.4 m-85 -121.96 158.05 55.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 139.08 24.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.591 1.837 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -111.71 134.59 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 5.1 m-85 -118.2 155.31 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.589 ' CD2' ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -82.74 120.76 26.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.07 -154.78 18.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' ND2' HG22 ' A' ' 65' ' ' THR . 8.6 m120 -72.16 131.21 42.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 m-20 -125.57 157.77 36.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' A' ' 50' ' ' ILE . 8.6 tt -131.24 152.45 50.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' HG21 ' A' ' 62' ' ' ILE . 2.3 mp -132.04 144.23 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 1.1 t -114.01 148.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -132.21 124.69 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 71.11 -155.44 52.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.29 1.62 40.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.431 HG23 ' CG1' ' A' ' 61' ' ' ILE . 19.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.44 -24.87 63.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.602 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 18.9 t-20 -174.99 140.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 29' ' ' LEU . 3.0 mt -112.42 147.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.687 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -138.24 108.92 8.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 161.09 39.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.413 1.744 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 76.2 t -134.49 64.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 p -75.47 3.6 8.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.58 16.48 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -107.41 149.58 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -82.51 3.76 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -136.27 168.81 18.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.9 164.73 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 154.61 -168.83 32.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.415 1.072 . . . . 0.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mm -143.78 149.33 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 HG21 ' CD1' ' A' ' 30' ' ' ILE . 12.1 mt -134.53 162.48 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 37.8 m-85 -130.52 144.09 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.4 tp -150.07 130.33 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.432 ' N ' HD13 ' A' ' 64' ' ' LEU . 96.9 m -127.93 138.57 52.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -131.74 144.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.422 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.4 m -103.16 152.48 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.1 mttt -64.41 -12.19 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.1 m-20 -80.94 5.51 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.2 t-20 80.55 41.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.409 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -110.26 148.66 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.14 145.52 47.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 137.38 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 74' ' ' PHE . 21.9 m-85 -110.7 163.95 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -166.67 158.77 13.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.423 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -103.78 153.54 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.57 32.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -4.16 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.74 28.06 30.3 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.27 161.18 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.1 129.51 51.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 76' ' ' ASP . 6.3 mt -101.89 113.48 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -72.25 123.41 22.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.525 HG23 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -125.85 146.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.09 118.37 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 m -71.13 -18.27 62.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -75.29 -22.55 57.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.643 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -116.37 -24.32 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 6.7 t-20 39.98 59.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -162.93 158.28 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.062 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CE1' ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -170.79 178.02 3.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -137.64 153.07 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -167.52 143.22 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.99 26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.03 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.488 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 5.7 mm -68.67 153.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -124.61 94.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 74.7 m-85 -76.23 158.09 31.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -159.23 119.0 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 9' ' ' LEU . 3.0 mm? -100.98 105.15 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.542 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -68.14 164.4 42.57 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 52.7 3.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.655 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 34.3 m-85 -138.9 168.32 20.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.88 137.14 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.66 148.69 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -138.09 137.67 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.65 114.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 13.1 ptpt -111.69 130.35 55.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mp -98.11 158.71 15.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -70.03 -22.41 63.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.77 -5.59 21.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.71 25.11 16.02 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.28 154.76 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -152.38 112.27 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.487 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 1.1 m-20 -108.46 168.25 9.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' CB ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.07 135.97 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 91.6 m-85 -124.31 154.14 68.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.67 28.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -110.98 134.64 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 49' ' ' ASN . 6.3 m-85 -118.57 154.32 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.606 ' HE2' ' CE1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -82.61 114.27 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 66' ' ' ILE . . . 133.65 -155.38 21.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 6.7 m-80 -69.44 116.12 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 66' ' ' ILE . 13.7 m-20 -122.55 115.14 21.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.99 150.51 20.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -125.61 108.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.26 152.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -133.21 126.9 32.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.576 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 62.85 -151.53 47.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -83.3 1.08 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 110.254 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 33.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.375 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -80.6 -21.83 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.604 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER 176.36 133.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -115.27 131.71 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -123.47 111.36 29.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.44 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 152.44 40.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -129.79 63.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -76.6 4.42 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 12.32 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -110.74 139.3 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.12 -13.02 31.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.5 m -117.03 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.576 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -128.81 175.82 8.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.72 -166.28 28.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.7 mm -141.16 159.61 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 0.71 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 6.2 mt -148.36 159.13 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 6.9 m-85 -119.01 141.45 48.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.88 94.22 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -99.86 123.83 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -120.98 142.9 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.087 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 44.7 t -103.64 163.02 12.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 4.1 ttpt -71.36 -13.72 61.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.5 m-20 -82.3 2.43 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.9 t30 79.24 39.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.252 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 24.6 mm -114.87 104.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.29 140.62 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.02 119.9 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CD1' HG22 ' A' ' 84' ' ' ILE . 33.5 m-85 -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.482 ' C ' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -162.34 169.17 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.67 154.03 22.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -64.7 -11.05 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -1.85 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.07 28.9 29.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.41 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.71 162.51 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.87 145.86 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 75' ' ' SER . 73.7 mt -117.33 117.81 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 120.78 26.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -118.24 142.55 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -69.67 124.16 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -15.77 58.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -18.04 34.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.654 ' HE2' ' CE1' ' A' ' 88' ' ' PHE . 9.8 m-85 -117.84 -25.02 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 78.6 m-20 41.71 54.64 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.2 m -157.83 165.58 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 3.7 p90 -161.63 168.76 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -129.72 138.09 50.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.16 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.651 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 1.3 t80 -157.87 141.11 15.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 59.56 22.26 10.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.4 -28.37 7.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.9 mp -66.11 163.39 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.497 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -125.73 117.74 24.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.659 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 51.3 m-85 -94.82 155.98 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -159.56 110.12 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 mp -106.12 103.23 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.6 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.587 ' CB ' ' CG ' ' A' ' 25' ' ' TYR . . . -65.02 165.32 16.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.43 ' CD ' ' CE2' ' A' ' 25' ' ' TYR . 18.5 Cg_endo -74.91 51.91 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 39.6 m-85 -141.16 173.59 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.33 138.82 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.99 148.69 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.615 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -140.95 144.4 35.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 98' ' ' PHE . 53.0 t -140.24 116.0 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 142.97 40.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.42 156.26 18.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -26.14 58.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.13 -7.64 37.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.82 20.81 30.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.92 170.44 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.38 129.77 2.09 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.557 1.16 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.2 129.43 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.25 119.38 39.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.579 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 73.3 m-85 -106.2 160.04 27.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.98 143.87 29.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -118.61 133.72 55.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.585 ' CE2' HD13 ' A' ' 4' ' ' LEU . 6.1 m-85 -117.92 148.13 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.62 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -76.48 122.95 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -154.85 20.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 48' ' ' GLU . 8.6 m120 -69.87 117.9 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 0.804 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -114.76 156.77 24.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.068 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 63' ' ' TYR . 2.3 tm? -132.12 150.52 52.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.523 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 10.2 mt -133.72 112.85 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 53' ' ' VAL . 43.8 t -91.51 144.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -125.93 116.88 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 94.13 -164.34 25.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.596 1.185 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 1.2 42.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.955 -0.441 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -57.14 -21.31 31.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 4.3 t-20 -169.82 130.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 29' ' ' LEU . 2.9 tt -116.85 140.45 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.581 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -139.2 106.99 7.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' VAL . 47.4 t -133.88 67.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.0 p -76.31 4.84 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.448 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' OD1' ' CG1' ' A' ' 11' ' ' VAL . 1.1 p30 -85.85 15.48 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 p -117.29 162.22 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 -2.81 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -122.61 173.62 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.563 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -108.61 177.75 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 148.49 175.22 20.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' CB ' ' A' ' 77' ' ' GLU . 19.0 mm -142.91 155.33 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -149.18 157.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.53 ' CD2' HD21 ' A' ' 29' ' ' LEU . 40.3 m-85 -124.11 144.95 49.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.1 tp -149.92 120.69 7.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.423 ' N ' HD11 ' A' ' 64' ' ' LEU . 85.5 m -123.6 135.18 53.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 4.7 pt -131.33 144.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 23.0 t -98.67 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -75.54 -13.27 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 8.5 m-20 -79.56 5.68 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.6 m-20 79.78 42.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.1 mp -113.78 147.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.6 p -135.17 150.0 50.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -155.49 120.54 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 15.4 m-85 -94.34 162.31 13.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -161.3 166.31 27.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -106.36 157.76 17.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HB ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.47 -8.76 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 11.48 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.39 32.41 65.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.6 161.91 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -94.93 146.9 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.486 ' CD1' ' C ' ' A' ' 75' ' ' SER . 48.5 mt -122.62 130.79 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.385 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -97.35 120.27 37.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.595 ' CG2' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -108.71 141.79 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.196 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ASN . 97.7 m-20 -66.03 133.91 51.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -81.18 -34.69 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -16.32 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.639 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -115.9 -24.79 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASN . 14.7 m120 38.89 46.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -158.9 169.67 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.3 p90 -157.26 175.89 13.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 9.1 tt0 -135.82 143.48 45.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -166.44 147.8 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.92 21.21 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.78 -26.92 7.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.482 ' CG2' HG11 ' A' ' 11' ' ' VAL . 1.4 mp -71.34 161.81 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 0.804 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -119.95 107.7 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG23 ' A' ' 11' ' ' VAL . 45.2 m-85 -93.11 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p-80 -156.62 134.63 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 9' ' ' LEU . 6.8 mp -115.51 113.49 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.634 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.48 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -59.81 148.14 76.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.24 2.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.549 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . 30.4 m-85 -134.33 165.82 24.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -153.73 146.82 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 11' ' ' VAL . 9.1 tt -94.8 156.47 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.62 136.55 36.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 96' ' ' ILE . 41.9 t -132.59 110.34 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -101.93 144.28 30.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 13' ' ' LEU . 5.8 mp -103.01 152.98 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -24.6 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -9.06 46.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 22.04 16.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.97 163.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -150.97 141.99 9.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.2 167.94 20.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.86 151.86 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.62 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 80.4 m-85 -145.68 154.36 51.95 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.88 2.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.549 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -171.4 137.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.652 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 7.3 m-85 -106.64 142.97 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -58.57 114.07 2.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.14 -154.1 22.67 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.568 1.168 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.28 132.67 44.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.71 157.67 39.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD21 ' CG2' ' A' ' 50' ' ' ILE . 5.7 tt -135.02 152.69 51.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.428 ' CD1' HG21 ' A' ' 62' ' ' ILE . 4.7 mt -128.02 146.95 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -117.23 147.18 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' ' 56' ' ' SER . 4.3 tp -132.95 134.74 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 80.36 -148.99 30.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -7.47 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 32' ' ' LEU . 68.8 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.183 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.583 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.8 p-10 -178.67 143.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.401 ' CG2' HD21 ' A' ' 29' ' ' LEU . 8.9 mt -113.49 148.16 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -136.82 110.3 9.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.08 159.35 41.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 55' ' ' ASP . 59.4 t -135.59 71.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 p -79.09 5.08 12.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.503 ' OD1' ' CG1' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -81.37 6.68 13.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.456 ' CB ' HD12 ' A' ' 32' ' ' LEU . 1.4 m -108.33 154.52 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -89.36 -13.32 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.461 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.25 -171.9 2.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.544 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -135.22 153.3 51.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.08 -160.62 33.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 mp -152.29 156.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 8.0 mt -137.78 164.31 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.61 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 24.3 m-85 -126.1 141.48 51.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -150.06 122.63 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' HD13 ' A' ' 64' ' ' LEU . 24.3 m -125.81 139.3 53.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt -134.03 143.65 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.409 ' CB ' ' HB ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -104.54 153.79 20.73 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 3.6 tttp -66.05 -11.01 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 4.8 m-20 -82.79 5.95 19.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 21.0 t-20 81.02 37.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.409 ' HB ' ' CB ' ' A' ' 67' ' ' SER . 17.7 mm -104.9 147.65 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.446 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 22.6 p -135.56 146.83 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.42 136.24 12.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' A' ' 91' ' ' PHE . 7.2 m-85 -120.13 164.68 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 74' ' ' PHE . 14.7 m -169.09 152.73 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.43 156.03 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.74 -19.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -67.6 -6.26 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.47 24.57 58.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -117.83 126.09 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.75 131.47 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.502 ' CG1' ' OD2' ' A' ' 76' ' ' ASP . 9.5 mt -86.21 141.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -70.92 120.66 16.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.6 OUTLIER -153.09 151.07 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ASN . 3.2 m-80 -148.27 167.62 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.5 p -68.96 -11.02 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -51.5 67.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -118.54 -26.25 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 88' ' ' PHE . 5.6 t30 34.17 44.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 t -148.04 173.71 12.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 36.7 p90 -174.35 176.52 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.67 144.35 37.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.635 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 2.5 t80 -166.27 146.83 6.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' CB ' ' A' ' 58' ' ' SER . 0.4 OUTLIER 62.2 26.19 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.13 -10.18 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.481 HG22 ' CG1' ' A' ' 11' ' ' VAL . 4.8 mm -88.9 157.82 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -120.2 95.43 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.028 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 78.5 m-85 -77.55 156.66 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.92 126.84 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -102.8 123.44 46.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.343 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.509 HD13 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -67.86 166.11 26.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.99 52.75 3.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.643 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 32.9 m-85 -145.67 175.67 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.95 142.65 10.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CG ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -93.0 146.92 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.614 1.196 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.59 138.21 50.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' ' 96' ' ' ILE . 34.4 t -136.65 119.62 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.371 1.044 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -123.16 139.82 53.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.48 154.25 18.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -75.47 -19.67 59.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -68.5 -5.94 22.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.04 24.14 10.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.377 1.048 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.31 164.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -155.24 141.74 8.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.65 168.18 25.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.69 159.62 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 92.3 m-85 -142.52 153.75 62.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.3 Cg_endo -74.94 144.65 30.72 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -112.34 136.02 52.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 18.7 m-85 -118.38 156.85 28.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -84.37 120.45 26.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.11 -155.32 20.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 64.2 m-80 -77.47 132.6 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.1 m-20 -135.02 157.22 47.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 47' ' ' PRO . 14.2 mt -128.07 148.53 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.71 104.93 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -75.43 144.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.99 107.73 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 101.48 -165.66 18.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.576 1.173 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.09 -0.24 51.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' HG3' ' CD1' ' A' ' 29' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.67 -28.51 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.29 143.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.58 113.93 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.18 111.16 53.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.6 Cg_endo -74.98 156.57 43.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 15.2 t -133.1 62.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 p -75.03 4.38 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.55 9.89 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 163.52 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 -5.87 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.06 154.29 27.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.529 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -99.09 176.74 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 133.34 169.8 12.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.57 160.99 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.425 0.721 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 23.8 mt -142.65 163.53 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 10.2 m-85 -122.41 143.64 49.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -150.39 114.92 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -120.76 140.78 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -134.39 143.79 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -104.53 150.45 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -63.6 -12.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -84.34 2.97 37.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.7 t-20 80.23 39.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.6 mm -111.27 104.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.44 149.6 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 108.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.65 131.76 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' CD1' HD12 ' A' ' 84' ' ' ILE . 5.9 m-85 -112.94 165.19 12.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -166.26 146.25 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -98.86 154.41 18.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.98 -17.35 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -8.16 28.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.02 24.91 42.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.424 1.077 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.0 tt0 -117.93 157.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.361 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -97.83 114.69 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 110.252 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 75' ' ' SER . 3.4 mt -67.76 140.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.03 121.47 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.555 HD12 ' CD1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -152.29 146.59 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -150.42 -171.59 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -80.61 -15.98 55.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -51.33 67.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 89' ' ' ASN . 50.0 m-85 -118.72 -25.67 6.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 88' ' ' PHE . 6.4 t-20 35.36 43.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.226 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 36.0 p -157.13 -177.53 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 91' ' ' PHE . 20.2 p90 -176.87 176.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 136.2 23.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.658 ' HE2' ' CE1' ' A' ' 93' ' ' TYR . 3.3 t80 -155.9 147.8 23.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 60.92 24.41 14.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.06 -26.82 9.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.445 HG22 ' CG1' ' A' ' 11' ' ' VAL . 4.6 mm -66.37 163.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.475 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -128.51 93.14 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 98' ' ' PHE . 38.9 m-85 -79.19 153.82 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 7.4 t60 -159.2 116.67 2.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.674 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 9' ' ' LEU . 1.5 mm? -101.79 116.12 32.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.374 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.597 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -70.05 165.0 47.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 52.96 3.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.617 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 34.3 m-85 -145.59 175.24 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 147.09 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -99.75 147.1 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.04 141.97 42.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 96' ' ' ILE . 60.6 t -136.93 110.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -103.62 131.73 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -103.89 164.95 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.85 -19.71 52.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.5 7.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.07 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 68.1 20.0 72.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 13' ' ' LEU . 58.8 t -103.85 169.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -153.35 135.55 4.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.578 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -117.82 123.48 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.14 115.03 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.624 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 95.9 m-85 -103.39 156.59 35.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.18 20.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -106.61 133.41 51.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.655 ' HD2' ' CD1' ' A' ' 24' ' ' TYR . 6.1 m-85 -117.69 156.19 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.586 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -85.03 117.54 24.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.65 -154.58 21.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.45 129.2 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' LEU . 80.6 m-20 -134.78 156.66 48.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 30' ' ' ILE . 6.6 tt -129.89 152.12 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.534 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 9.6 mt -124.19 104.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 52' ' ' PRO . 1.2 t -72.96 150.05 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -131.86 116.81 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.52 -162.29 34.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -84.86 2.44 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.515 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 99.5 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.048 -0.405 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -21.43 66.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.558 ' CG ' ' CG ' ' A' ' 24' ' ' TYR . 6.0 m120 -168.78 125.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 tt -110.21 145.25 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.666 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -133.94 111.4 12.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 146.08 32.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.595 1.839 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' HG21 ' A' ' 30' ' ' ILE . 23.8 t -117.92 68.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 p -77.12 4.09 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.41 15.43 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.496 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 94.6 p -116.55 157.16 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 6.66 48.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.63 157.3 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.545 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -102.13 158.9 15.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 157.23 -167.14 33.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.515 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 1.8 mp -150.94 162.81 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 3.4 mt -150.03 162.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 12.7 m-85 -118.33 146.61 44.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' ASN . 2.9 tp -146.51 107.27 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 117.89 35.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.95 138.31 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -105.14 151.78 23.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.7 mtpt -61.62 -17.3 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 43.6 m-20 -80.8 2.64 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CE1' ' A' ' 7' ' ' PHE . 4.5 t-20 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 71' ' ' ILE . 1.4 mp -108.69 107.12 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.76 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -144.14 110.0 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 33.2 m-85 -92.75 155.48 17.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -158.68 166.03 32.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 160.13 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -9.29 24.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -83.53 9.57 11.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.15 31.01 64.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.1 mt-10 -117.48 158.98 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -93.98 137.6 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 75' ' ' SER . 31.4 mt -104.66 130.92 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -86.33 120.5 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -120.0 136.04 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.582 1.177 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -64.6 121.83 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -14.57 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.058 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.09 -17.37 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.634 ' HD2' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -116.16 -22.21 9.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 110.935 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 43.14 47.34 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 p -155.96 164.15 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.0 p90 -154.59 175.2 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -135.52 147.41 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.04 144.38 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 56.28 23.38 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.37 -29.01 6.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.4 mp -65.62 163.1 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -127.66 113.71 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 53.7 m-85 -96.1 155.22 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.71 124.21 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.508 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.585 ' CB ' ' CG ' ' A' ' 25' ' ' TYR . . . -73.64 164.91 57.61 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.598 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.3 Cg_endo -74.98 48.99 2.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.626 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 24.0 m-85 -147.98 157.43 43.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -138.56 157.12 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -104.17 148.09 26.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.4 121.06 13.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.432 ' CG1' ' CG2' ' A' ' 96' ' ' ILE . 18.5 t -118.99 108.83 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.9 OUTLIER -107.51 138.84 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -97.07 156.84 16.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 95' ' ' GLY . 2.2 p -73.25 -20.24 60.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.0 -3.44 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.02 24.92 15.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.02 157.86 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -145.22 143.38 11.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.075 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -143.52 156.36 44.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.33 135.52 35.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.604 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 92.2 m-85 -129.16 154.97 80.57 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.99 143.12 28.72 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -116.55 128.91 55.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 4' ' ' LEU . 6.5 m-85 -113.6 143.59 44.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.652 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -66.63 125.4 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.11 -155.49 21.04 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.14 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.464 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.19 110.09 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' LEU . 51.1 m-80 -118.17 115.52 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 3.5 mt -98.97 144.16 28.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' CG2' ' A' ' 51' ' ' ILE . 3.1 mm -109.53 108.39 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 52' ' ' PRO . 1.1 t -72.07 146.21 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -131.91 125.4 31.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.83 -156.08 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -83.95 1.07 45.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.482 ' CG2' HD13 ' A' ' 61' ' ' ILE . 1.2 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -22.04 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.97 135.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 41.7 mt -116.12 122.21 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.519 ' C ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -107.55 121.4 44.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 148.87 35.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 30' ' ' ILE . 79.8 t -134.77 59.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 p -76.76 4.61 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -3.89 22.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -104.51 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 5.56 50.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.2 m -120.48 148.81 43.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.565 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -102.65 156.31 17.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 156.41 -160.81 30.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 35' ' ' THR . 1.0 OUTLIER -151.82 158.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 1.4 mt -139.23 160.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 77' ' ' GLU . 15.7 m-30 -115.02 138.41 50.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.59 96.2 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 4.8 m -109.9 126.95 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 23' ' ' LEU . 23.4 pt -127.13 142.32 43.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.613 1.196 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.494 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 28.5 t -97.23 163.49 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -13.21 61.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -82.29 7.47 13.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 3.6 m120 74.11 41.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.6 mp -115.18 103.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.3 p -93.13 142.52 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.59 110.43 5.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.652 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 24.1 m-85 -91.51 156.33 17.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 3.8 m -168.5 161.44 11.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.064 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -102.39 155.96 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -56.39 -16.43 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -7.67 35.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.42 24.04 41.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 8.5 tt0 -117.45 135.73 53.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 0.779 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.2 pm0 -79.08 141.73 37.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 mt -111.44 144.34 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -95.84 120.42 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -109.65 134.83 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 89' ' ' ASN . 15.0 t-20 -55.67 131.58 46.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.69 -33.4 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -14.94 59.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 1.621 ' HD2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -115.33 -24.56 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 9.5 m120 40.45 50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.7 p -159.77 169.36 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.8 p90 -158.72 175.8 13.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 43.2 t80 -162.33 145.67 11.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 60.75 20.54 10.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 14' ' ' THR . . . 91.8 -22.13 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.432 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 18.5 mm -71.03 161.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -125.54 92.97 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.638 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 64.9 m-85 -80.89 154.0 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -159.4 125.5 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.678 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 23' ' ' LEU . 2.2 mm? -100.49 105.62 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 tttm . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.266 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.533 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -55.22 144.21 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 44.19 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 7.9 m-85 -134.99 161.43 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -137.17 145.01 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.02 146.35 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -129.25 141.19 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.537 ' CG1' ' CG2' ' A' ' 96' ' ' ILE . 66.9 t -140.23 116.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -112.96 144.22 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.8 155.07 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -26.24 59.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -68.34 -8.95 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.53 19.87 28.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.575 1.172 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.34 169.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.58 0.812 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -159.17 141.23 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.7 166.63 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.739 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 1.5 pm0 -143.05 145.62 33.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.605 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 10.2 m-85 -143.54 154.21 59.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 158.05 42.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD22 ' CB ' ' A' ' 7' ' ' PHE . 3.2 pp -144.28 128.44 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 8.5 m-85 -96.26 143.5 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -59.45 117.21 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.66 -154.41 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.571 1.17 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.53 109.49 16.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -103.58 156.97 17.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 8.1 tt -134.36 153.89 51.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 9.5 mt -126.36 146.56 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.45 146.8 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.14 124.53 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 91.73 -154.83 22.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.81 -4.84 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.3 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.21 -19.76 19.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 23' ' ' LEU . 15.7 t30 -145.28 115.77 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 5.1 mt -108.88 120.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -118.22 109.93 40.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 159.94 40.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG22 ' CG2' ' A' ' 30' ' ' ILE . 91.4 t -133.89 70.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 p -77.54 4.54 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' CG1' ' A' ' 53' ' ' VAL . 0.6 OUTLIER -85.08 11.38 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.42 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -116.75 152.83 33.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -91.46 -8.44 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 3.2 m -100.08 166.75 10.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.558 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -118.94 146.42 44.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.47 -167.65 36.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.4 1.062 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 35' ' ' THR . 1.2 mp -148.41 157.78 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 4.9 mt -137.84 164.26 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.643 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 30.1 m-85 -122.97 144.22 49.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.68 103.14 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.5 m -108.26 133.34 52.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.42 144.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.422 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 17.8 t -103.02 166.43 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 11.1 tttm -77.02 -13.3 59.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.3 m-20 -80.74 5.67 15.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.3 t-20 80.26 44.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -114.54 147.01 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 20.8 p -136.05 149.47 48.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -158.16 116.47 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.618 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 62.7 m-85 -93.13 158.94 15.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -160.27 165.89 30.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.928 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -107.47 155.36 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.453 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -57.07 -16.21 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.23 -5.22 30.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.47 25.99 40.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.0 tt0 -117.12 160.9 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.41 135.53 36.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.401 ' CD1' ' C ' ' A' ' 75' ' ' SER . 8.0 mt -104.51 123.28 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.4 120.61 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.57 ' CG2' ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -114.81 143.82 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -72.57 133.13 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -20.44 40.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -85.92 -17.33 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.3 m-85 -115.36 -23.04 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 79.2 m-20 40.07 43.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 p -154.73 163.81 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.003 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.615 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.6 p90 -156.61 174.25 15.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.23 143.78 50.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 54.0 t80 -168.55 137.93 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-20 58.21 22.46 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.7 -29.41 7.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.537 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 6.0 mm -69.1 160.12 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.85 93.71 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.615 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 90.9 m-85 -71.32 158.09 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -160.58 111.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.568 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 23' ' ' LEU . 2.5 mm? -94.98 116.27 28.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.576 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . . . -76.99 169.18 22.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.22 2.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 19.3 m-85 -107.23 173.11 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.79 114.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -91.31 131.1 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -123.49 129.08 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.194 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.07 121.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.5 ptmt -109.64 145.45 36.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -103.57 158.22 16.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -26.51 62.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.351 1.032 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -8.98 47.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.63 22.3 24.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 2.8 t -86.75 170.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 0.814 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.59 121.55 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -110.78 165.86 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.38 146.15 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.472 ' CB ' HG13 ' A' ' 51' ' ' ILE . 68.5 m-85 -146.88 152.08 43.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -170.74 126.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.606 ' HD2' ' CD1' ' A' ' 24' ' ' TYR . 5.6 m-85 -107.01 142.38 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.47 117.01 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.83 -153.67 22.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.4 m120 -79.31 141.55 36.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -143.66 158.69 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD23 ' CD1' ' A' ' 63' ' ' TYR . 17.8 mt -142.1 146.56 35.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CG2' ' CG2' ' A' ' 53' ' ' VAL . 12.5 mt -114.17 145.53 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -104.71 147.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -133.0 123.36 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.591 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.57 -155.23 51.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -83.24 1.86 38.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' CG1' ' A' ' 61' ' ' ILE . 87.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' CG ' HD13 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.4 tp10 -69.39 -21.37 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -172.44 135.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.402 HD13 ' CG ' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -117.59 146.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -142.28 110.32 5.89 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.3 36.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.761 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' VAL . 57.7 t -134.79 49.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.16 3.99 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -6.78 22.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 t -92.8 176.04 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -97.68 -3.11 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.38 169.41 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.591 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 4.2 m-20 -115.54 176.88 4.88 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 143.41 -177.15 22.43 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HG23 ' A' ' 35' ' ' THR . 16.1 mm -143.0 128.76 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 8.4 mt -112.38 165.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.66 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 20.9 m-85 -128.71 142.44 51.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -147.62 119.21 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' HD11 ' A' ' 64' ' ' LEU . 81.9 m -123.84 135.66 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.493 HD12 ' CE2' ' A' ' 7' ' ' PHE . 1.1 pt -134.24 108.94 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t -69.33 163.88 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 4.0 tttm -65.83 -21.42 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -76.76 -0.02 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 8.4 t30 77.43 45.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.4 mp -114.9 103.52 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.1 p -86.57 155.37 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 108.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 6.7 m-85 -92.78 164.21 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 135.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD2' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -84.34 154.51 22.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 1.4 pt-20 -55.27 -17.7 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -69.2 -6.93 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.77 27.65 37.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 1.8 tt0 -117.04 118.01 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.36 115.71 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CD1' ' OD2' ' A' ' 76' ' ' ASP . 3.5 mt -75.65 131.56 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -77.26 121.68 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -145.24 151.3 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 1.5 t-20 -149.73 -178.39 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.5 m -77.92 -8.28 57.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.2 -51.31 66.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.95 -25.84 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-20 34.98 50.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -165.39 174.31 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.626 ' HD1' ' CD2' ' A' ' 91' ' ' PHE . 22.5 p90 -171.8 174.53 4.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -130.79 143.95 51.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -164.01 135.79 4.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 59.17 21.09 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.21 -33.17 5.42 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.419 1.074 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 96' ' ' ILE . 1.9 mp -67.96 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.79 133.9 51.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.656 ' HD1' ' CD2' ' A' ' 98' ' ' PHE . 7.9 m-85 -111.56 155.31 23.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 101' ' ' LYS . 5.5 t60 -152.88 114.53 4.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -98.45 104.08 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HG3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.682 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -57.58 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 20.32 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.536 1.809 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' ALA . 7.0 m-30 -114.99 164.09 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -148.96 145.89 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -99.23 144.75 28.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.23 136.1 43.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 HG22 ' CE2' ' A' ' 21' ' ' PHE . 56.2 t -130.77 110.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.41 143.89 40.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 1.1 mp -103.2 157.43 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -74.62 -20.0 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -5.97 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.97 25.3 9.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.79 162.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -153.17 117.63 0.82 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.62 168.4 10.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.43 141.56 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 51' ' ' ILE . 38.6 m-85 -128.2 153.65 78.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.0 Cg_endo -75.08 144.51 30.09 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.604 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -117.6 131.7 56.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.682 ' CE2' ' CD1' ' A' ' 4' ' ' LEU . 3.8 m-85 -116.99 163.2 16.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.602 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -85.88 123.04 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.948 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.75 -155.34 22.6 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.46 106.48 14.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' LEU . 76.4 m-20 -100.29 157.74 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -139.06 152.97 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -132.58 124.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.5 119.0 55.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.8 tm? -111.48 96.85 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 121.5 -158.65 16.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.33 -1.72 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.461 ' HB ' ' CD1' ' A' ' 61' ' ' ILE . 1.9 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 -41.55 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -160.05 124.72 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.486 ' CG2' HG21 ' A' ' 31' ' ' VAL . 3.9 mt -101.25 141.4 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.589 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -126.97 107.48 22.08 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.505 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 165.89 30.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' VAL . 3.5 t -135.33 77.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -77.0 3.4 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.19 16.05 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -125.59 150.64 47.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -9.13 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.16 176.92 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -122.19 164.74 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 143.96 176.77 18.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.461 ' CD1' ' HB ' ' A' ' 35' ' ' THR . 27.8 mt -146.57 157.73 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 63' ' ' TYR . 82.3 mt -145.38 139.69 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.417 ' N ' HG21 ' A' ' 62' ' ' ILE . 11.1 m-85 -101.22 145.41 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' ASN . 4.4 tp -149.61 120.82 7.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 3.7 m -123.4 122.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 21.7 pt -117.11 126.44 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.82 147.23 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.575 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.16 -16.99 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -76.08 -0.33 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.8 t-20 80.4 39.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.5 mp -115.86 103.83 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.77 129.54 23.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.651 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 24.5 m-85 -104.46 163.71 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.65 154.5 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.998 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -13.48 10.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -73.53 -1.73 19.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.88 26.64 52.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -117.78 162.37 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 0.718 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.55 131.73 39.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.616 1.197 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.5 mt -89.05 137.1 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.58 120.62 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.558 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -151.08 148.17 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.435 ' N ' HG13 ' A' ' 84' ' ' ILE . 36.9 m-80 -131.22 152.82 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -65.04 -11.23 36.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.951 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.46 -51.8 68.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.32 -26.58 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.5 p30 36.86 57.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 88' ' ' PHE . 1.5 m -165.25 171.32 13.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.41 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 21.7 p90 -179.32 169.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.2 tt0 -107.15 152.22 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -168.16 139.49 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 56.61 20.79 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -31.53 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.62 ' CG2' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.28 165.44 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.411 0.712 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.523 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -128.28 104.1 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.605 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 58.7 m-85 -95.57 154.85 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.02 117.32 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.535 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 8.8 mp -103.39 103.95 13.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.56 HD13 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.553 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -61.77 166.13 6.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.92 49.48 2.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 34.2 m-85 -147.97 164.47 33.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -147.78 146.13 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 11' ' ' VAL . 7.1 tt -95.53 154.91 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -143.45 146.33 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 9' ' ' LEU . 6.4 t -139.21 125.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -113.41 141.51 46.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 13' ' ' LEU . 1.3 mp -104.57 155.78 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -24.72 63.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -68.15 -8.72 40.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.08 22.28 25.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.605 1.191 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.61 167.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.12 112.56 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -107.47 159.58 16.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 127.44 37.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 89.4 m-85 -113.4 158.91 37.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.605 1.191 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 142.59 28.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.74 126.8 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.645 ' HD1' ' CD2' ' A' ' 24' ' ' TYR . 4.3 m-85 -111.93 152.35 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.641 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -77.16 123.46 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.52 -154.57 21.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m-20 -83.52 107.82 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -105.76 156.92 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 30' ' ' ILE . 9.6 tt -136.36 151.14 49.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 ' N ' HD22 ' A' ' 29' ' ' LEU . 4.0 mt -120.52 146.1 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' VAL . 1.2 t -113.64 146.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -132.82 125.02 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 77.57 -157.97 46.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 1.65 40.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HG3' ' CB ' ' A' ' 29' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -19.22 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -143.05 118.88 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG1' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -112.41 123.18 67.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -121.73 110.04 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.6 Cg_endo -75.01 159.4 41.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 96' ' ' ILE . 10.9 t -135.04 62.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -75.21 3.36 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.04 12.32 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -101.21 167.51 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.77 -2.61 40.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.431 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -132.07 -179.28 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -116.64 168.67 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 153.07 -177.97 30.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 mm -140.77 137.69 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 22.3 mt -123.66 165.05 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 30.2 m-85 -129.48 144.23 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.29 113.07 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 40.3 m -119.46 131.2 55.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 23' ' ' LEU . 21.5 pt -128.21 144.7 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -102.47 150.65 23.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.4 mtmp? -65.21 -10.64 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 33.4 m-20 -82.75 8.37 12.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.1 t-20 80.06 44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.2 mp -115.34 142.94 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.3 p -134.98 137.85 43.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.43 138.41 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 64' ' ' LEU . 11.2 m-85 -121.15 164.36 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 4.9 t -168.14 151.08 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -94.31 154.68 17.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.72 -16.69 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -67.45 -7.53 26.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.36 22.28 54.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 128.97 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.431 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -70.89 136.12 48.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.5 ' CG1' ' OD2' ' A' ' 76' ' ' ASP . 8.3 mt -92.33 133.3 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -70.9 120.75 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.6 OUTLIER -149.1 152.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 8.4 m-20 -149.36 -178.76 6.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -80.5 -5.76 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.93 -51.71 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -119.34 -26.32 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 88' ' ' PHE . 14.5 t-20 33.95 53.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.9 p -161.21 173.37 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 10.9 p90 -168.76 169.25 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.72 137.54 54.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 2.2 t80 -168.09 129.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 71.74 19.13 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 -26.47 8.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.561 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 30.2 pt -78.05 162.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -126.33 120.89 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.658 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 40.8 m-85 -95.96 154.04 17.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.569 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.99 132.1 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -108.99 111.14 22.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 24' ' ' TYR . 1.4 pp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.667 ' CB ' ' CD2' ' A' ' 25' ' ' TYR . . . -56.68 173.05 0.32 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 50.75 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 m-85 -117.1 174.76 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mpp_? -170.03 141.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.7 tt -92.13 156.44 17.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.58 143.7 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.0 t -139.45 115.63 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.99 141.36 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.09 153.59 20.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.04 64.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -14.01 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.71 22.44 9.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -91.52 166.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.27 124.83 1.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.11 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -119.11 166.38 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -145.76 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CD2' HD13 ' A' ' 51' ' ' ILE . 22.1 m-85 -146.64 158.71 45.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 135.71 19.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -107.86 124.04 49.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.61 ' CE2' HD21 ' A' ' 4' ' ' LEU . 2.8 m-85 -100.59 142.6 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.622 ' HD1' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -75.14 113.64 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.8 -154.8 23.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.84 105.35 3.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.8 m-20 -104.29 156.43 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 63' ' ' TYR . 11.6 tp -136.81 153.61 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG2' HG22 ' A' ' 53' ' ' VAL . 2.5 mp -131.87 150.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -119.49 153.2 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' CD2' ' OD2' ' A' ' 94' ' ' ASP . 21.4 tp -132.73 140.61 48.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 69.23 -151.09 50.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -83.93 -3.97 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.478 ' CG2' HD13 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -20.95 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.478 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 3.5 t30 175.11 138.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 2.5 mt -112.41 133.32 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -119.27 110.53 37.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 157.97 42.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.415 1.745 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 30' ' ' ILE . 61.1 t -132.72 70.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.7 p -78.06 4.17 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.43 16.71 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.459 ' CB ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -107.0 164.96 11.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.66 -10.61 28.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 m -118.31 -174.92 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.586 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -129.91 157.95 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 32' ' ' LEU . . . 159.85 -161.27 32.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -150.03 156.35 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 mt -141.48 153.54 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.533 ' CD1' HD11 ' A' ' 29' ' ' LEU . 7.6 m-85 -115.71 146.14 42.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.9 tp -147.25 117.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.434 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -117.61 112.34 20.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 5.2 pt -116.8 134.8 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -103.1 149.4 24.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.59 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.9 mttt -62.8 -12.32 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -81.09 3.28 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 81.07 33.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 17.9 mm -105.92 103.05 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -92.52 133.85 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -140.77 140.71 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 6.8 m-85 -121.31 163.92 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.75 164.33 18.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.8 154.37 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -63.83 -11.63 28.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -74.81 -1.5 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.97 27.36 37.91 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -117.47 161.32 19.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -92.24 160.73 15.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 76' ' ' ASP . 52.3 mt -136.48 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.53 122.36 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -114.97 154.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.35 119.5 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -6.35 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -19.01 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.08 -25.02 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.3 m120 38.39 49.89 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -156.66 161.49 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 17.2 p90 -151.34 176.27 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 14.8 tt0 -139.3 145.55 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.62 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 5.3 t80 -168.26 147.35 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD2' ' CD2' ' A' ' 32' ' ' LEU . 25.1 m-20 58.71 21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.25 -27.52 6.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.1 mp -72.09 162.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.483 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -120.55 141.11 50.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 m-85 -122.16 152.15 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.09 125.28 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HG ' ' A' ' 9' ' ' LEU . 10.8 mt -102.09 104.82 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.213 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.582 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -63.9 165.72 12.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 49.87 2.36 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 2.8 m-85 -132.1 175.65 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -170.78 135.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -91.89 149.04 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mp -139.59 116.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 96' ' ' ILE . 2.6 t -109.86 108.89 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.645 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -117.09 135.58 53.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -94.13 170.88 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -79.92 -19.57 47.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.26 -6.23 33.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.02 24.85 7.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 2.2 t -97.22 152.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.645 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -162.48 103.04 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.385 1.053 . . . . 0.0 111.057 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.81 168.32 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE2' ' CZ ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -141.52 135.67 30.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CD2' HD13 ' A' ' 51' ' ' ILE . 18.9 m-85 -126.06 160.16 58.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -75.01 157.92 42.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -137.91 126.04 22.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 24' ' ' TYR . 4.2 m-85 -105.82 142.73 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.612 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -64.73 117.5 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.05 -154.6 22.88 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.559 1.162 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 24.2 m-80 -74.53 125.84 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -128.62 157.69 40.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 47' ' ' PRO . 6.8 mp -137.54 150.9 47.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CG2' HG22 ' A' ' 53' ' ' VAL . 36.4 mt -124.29 107.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.44 149.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.04 126.9 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 68.68 -155.5 53.41 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -83.55 2.24 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.458 HG23 ' CG1' ' A' ' 61' ' ' ILE . 50.6 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' CG ' HD12 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.67 -27.13 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -179.1 134.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 47' ' ' PRO . 8.3 mt -115.57 145.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.59 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -137.94 111.13 8.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.471 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.93 154.39 42.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG22 ' CG2' ' A' ' 30' ' ' ILE . 12.1 t -132.94 71.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.8 p -80.55 4.99 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' CG1' ' A' ' 53' ' ' VAL . 1.5 p30 -84.77 10.63 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 57.5 p -107.16 139.29 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -9.25 51.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 m -117.25 -177.63 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.577 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -131.68 158.4 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 162.19 -165.75 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' CG1' HG23 ' A' ' 35' ' ' THR . 21.9 mm -141.38 157.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 2.7 mt -141.72 164.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 21.6 m-85 -126.31 140.45 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.5 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.9 m -121.22 134.65 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 23' ' ' LEU . 33.4 pt -134.56 126.0 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 13.6 t -86.18 163.23 17.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -19.71 64.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.5 m-20 -76.0 -0.03 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.9 t-20 79.26 42.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.7 mp -115.43 103.75 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.627 1.204 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.7 p -92.46 155.2 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -158.75 113.86 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 74' ' ' PHE . 9.1 m-85 -92.91 157.35 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.78 159.6 24.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -101.56 157.54 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -15.66 12.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -71.2 -5.46 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.89 25.83 39.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.4 tp10 -117.56 148.09 42.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.74 150.28 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 76' ' ' ASP . 29.0 mt -122.27 134.47 65.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -90.79 120.74 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.579 ' CG2' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -112.51 143.01 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.3 t-20 -65.76 120.7 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -75.47 -16.2 60.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -89.78 -16.46 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -22.52 9.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ASN . 9.6 p30 40.8 47.11 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 p -160.62 164.64 31.69 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.608 ' HD2' ' CD1' ' A' ' 91' ' ' PHE . 9.3 p90 -157.01 175.82 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.26 127.02 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.6 148.55 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 53.76 26.45 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.48 -18.85 31.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.574 1.172 . . . . 0.0 111.036 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 11' ' ' VAL . 8.5 mm -69.97 155.76 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.09 90.56 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.084 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.653 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 52.6 m-85 -80.26 151.45 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -159.86 113.33 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 9' ' ' LEU . 5.2 mp -105.92 106.13 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.603 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -58.36 146.18 72.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 45.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.572 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . 8.1 m-85 -124.29 160.37 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -133.15 155.46 49.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.6 tm? -114.73 155.01 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 4.3 mp -140.79 139.8 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 9' ' ' LEU . 49.1 t -134.46 107.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 17.6 pttp -95.89 140.12 31.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 55' ' ' ASP . 7.1 mp -104.11 152.3 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -24.93 59.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.59 -8.3 46.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.62 19.77 28.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.4 t -91.4 169.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.17 119.77 0.9 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.33 168.55 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.61 140.44 40.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.658 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 89.5 m-85 -140.14 153.3 69.02 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.66 2.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -165.38 140.76 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 49' ' ' ASN . 5.9 m-85 -110.64 143.98 40.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.395 1.059 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 1.595 ' HD1' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -64.99 113.1 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 139.84 -155.39 24.3 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.3 m120 -68.63 122.81 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.6 m-20 -121.24 157.56 30.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 28' ' ' ASN . 23.3 mt -140.91 149.77 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -125.7 133.54 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t -98.54 134.24 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -113.94 119.48 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 90.37 -157.69 25.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -3.99 57.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.42 ' CB ' HD13 ' A' ' 61' ' ' ILE . 3.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -78.29 -23.66 47.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.606 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 48.6 t30 177.67 136.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 29.8 mt -117.05 124.32 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.541 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -111.1 109.58 56.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 162.43 37.17 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 t -134.55 83.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.6 p -81.36 4.95 18.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.487 ' CB ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.56 16.47 18.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.598 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . 1.5 t -102.94 129.1 49.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -73.04 -9.2 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.75 -164.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.563 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 11.1 m-20 -134.23 163.9 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 147.9 -178.14 25.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 HD13 ' CB ' ' A' ' 35' ' ' THR . 1.9 mp -143.06 154.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 75.4 mt -139.64 167.54 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 1.635 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 20.8 m-85 -130.57 143.21 50.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.5 tp -141.37 125.14 16.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -113.12 115.9 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -119.6 112.76 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.28 152.43 21.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -64.7 -11.76 39.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 14.23 6.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 67.8 43.07 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.91 104.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.13 138.88 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -147.81 146.92 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 9.7 m-85 -127.11 162.71 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.42 ' CA ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.12 137.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -76.36 157.52 32.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -59.51 -14.82 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -3.94 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.68 27.34 38.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mm-40 -117.49 134.52 54.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -76.48 139.83 40.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.42 HD13 ' CA ' ' A' ' 75' ' ' SER . 3.1 mt -112.59 128.68 69.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.078 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.96 120.14 22.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.81 142.1 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -71.01 111.17 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.0 p -70.25 -5.82 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -96.09 -20.08 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.36 -23.7 8.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 43.54 43.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.61 145.66 23.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.997 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' CD1' ' A' ' 98' ' ' PHE . 25.6 p90 -139.31 175.27 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -134.35 144.47 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.37 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -168.39 147.93 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 55.54 21.94 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.3 6.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 1.7 mp -76.43 159.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.465 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -124.76 143.97 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 15.8 m-85 -123.9 153.79 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -152.75 121.98 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.477 HD22 ' CD2' ' A' ' 9' ' ' LEU . 7.5 mt -109.31 118.55 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -57.09 153.18 25.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 43.46 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 1.619 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 11.3 m-85 -132.05 166.3 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.438 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.51 146.57 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.9 OUTLIER -92.42 149.4 21.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.7 136.77 41.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 96' ' ' ILE . 87.1 t -136.01 107.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.98 132.9 51.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -104.72 166.93 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.527 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -63.0 -19.42 64.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.7 9.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.65 22.13 73.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 18' ' ' GLY . 39.7 t -102.61 166.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -157.27 129.1 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.4 139.61 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -120.01 130.57 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 10.3 m-85 -128.41 156.52 76.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.95 168.79 24.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -150.5 139.27 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.624 ' HD2' ' CD1' ' A' ' 24' ' ' TYR . 4.8 m-85 -111.2 143.9 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -62.3 113.71 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . 140.86 -153.78 23.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 4.5 m-80 -73.08 131.49 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 0.808 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -133.63 158.08 44.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.14 152.89 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' ' CG2' ' A' ' 53' ' ' VAL . 5.9 mt -124.32 127.4 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.97 112.04 24.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -101.33 119.57 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.61 -162.76 16.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -82.95 -2.82 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' HD13 ' A' ' 61' ' ' ILE . 4.2 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.6 tt0 -81.12 -21.18 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -161.33 129.68 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.366 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.9 mt -111.3 146.32 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.545 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -141.77 110.8 6.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 158.57 42.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 30' ' ' ILE . 3.3 t -133.85 84.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.6 p -80.33 4.63 17.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.93 16.66 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.501 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 2.8 t -127.13 150.34 49.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.96 -7.61 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.206 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.43 169.72 11.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -127.34 142.85 51.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 156.01 -160.51 30.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.574 1.171 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 2.3 mp -156.02 121.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.233 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 3.3 mt -96.11 163.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 53.6 m-85 -122.02 142.95 49.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -149.32 116.55 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 34.4 m -120.87 132.32 54.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.449 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 64' ' ' LEU . 3.6 mt -128.26 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -105.0 163.8 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -68.68 -19.89 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 37.0 m-20 -78.45 2.1 20.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.8 t30 77.8 42.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.5 mp -115.04 103.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.7 153.5 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -154.88 114.76 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.626 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 24.9 m-85 -93.7 157.68 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 3.3 t -165.34 154.96 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -101.36 158.91 15.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.4 -17.42 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -6.71 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 23.2 57.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 6.3 tt0 -117.91 131.58 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.1 pt20 -75.56 132.81 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 12.1 mt -97.74 113.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -67.1 120.57 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.559 HG23 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.78 138.53 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ASN . 12.4 p30 -81.28 111.46 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -60.42 -25.82 66.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -23.08 66.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -23.31 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ASN . 41.0 m-20 45.32 38.71 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 p -155.16 151.6 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 5.0 p90 -143.14 175.01 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -133.06 146.22 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 1.65 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 42.3 t80 -168.64 142.6 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.44 22.61 9.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.8 -27.56 7.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.469 ' CG2' HG11 ' A' ' 11' ' ' VAL . 10.3 mm -67.73 159.28 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -123.23 103.34 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.959 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 1.628 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 72.7 m-85 -84.7 157.0 21.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.416 ' NE2' ' CG ' ' A' ' 101' ' ' LYS . 14.8 t60 -160.45 119.41 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.13 104.89 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' CG ' ' NE2' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -163.74 175.36 10.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.49 34.31 20.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.623 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -116.12 118.2 32.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.546 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -67.4 165.0 32.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.1 Cg_endo -75.0 50.56 2.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 22.4 m-85 -141.7 162.01 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' CG ' ' HB3' ' A' ' 101' ' ' LYS . 5.5 ptp180 -150.54 152.74 34.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -102.66 144.99 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -136.12 114.88 12.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.479 ' CG1' ' OD2' ' A' ' 55' ' ' ASP . 51.0 t -107.74 110.73 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.28 133.11 53.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' N ' HD11 ' A' ' 13' ' ' LEU . 6.2 mp -101.12 153.57 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -73.2 -21.54 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -68.29 -7.08 27.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.74 23.75 9.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.98 163.21 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -167.11 128.65 1.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.7 167.47 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -137.21 132.65 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 92.9 m-85 -118.28 156.29 50.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.39 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.2 132.53 43.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.623 ' CE2' ' CD1' ' A' ' 4' ' ' LEU . 4.0 m-85 -119.07 149.92 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -73.02 120.18 18.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.2 -153.67 23.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.51 107.5 15.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -98.0 157.66 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 47' ' ' PRO . 7.3 tt -139.52 152.71 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 31' ' ' VAL . 4.1 mt -129.08 145.65 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.435 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -115.11 138.63 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -129.55 115.84 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 103.69 -156.53 17.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 8.3 ptp180 -83.47 -3.16 57.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' LEU . 1.9 p -50.79 -30.76 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 52' ' ' PRO . 3.2 tp -64.53 -40.86 90.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 pt-20 -81.01 -3.28 51.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.501 ' O ' ' CG2' ' A' ' 38' ' ' THR . 1.1 m -126.23 10.71 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' THR . 66.1 tp -81.2 167.29 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 3.5 mm-40 -117.15 157.88 25.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.616 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 2.2 m-85 -128.35 162.02 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.65 -100.13 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -79.83 -13.23 59.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.05 9.65 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -88.75 41.61 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.623 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -49.01 -47.47 74.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.2 Cg_endo -75.03 164.1 33.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.31 -19.83 18.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -148.45 120.25 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -111.66 112.76 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.617 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -107.92 109.42 62.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.515 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 164.02 34.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.425 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 19.0 t -133.16 76.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.8 p -78.06 4.01 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.479 ' OD2' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -92.72 16.32 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 p -120.87 145.54 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -6.95 47.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 176.14 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 2.0 m-20 -117.71 167.4 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.66 172.36 12.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 62' ' ' ILE . 3.1 mp -140.71 138.39 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 10.9 mt -113.96 163.63 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.602 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 79.5 m-85 -130.49 141.61 50.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -149.04 125.88 11.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -123.77 135.62 53.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 23' ' ' LEU . 28.0 pt -129.41 139.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -103.93 152.18 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.71 -15.98 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -81.94 4.55 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 69' ' ' ASP . 7.9 m-80 74.9 41.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -115.07 104.65 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.1 p -95.53 155.67 16.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -157.66 111.75 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.658 ' CE1' ' CD1' ' A' ' 84' ' ' ILE . 15.5 m-85 -92.78 159.65 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 81' ' ' GLN . 0.1 OUTLIER -173.94 137.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -82.26 159.9 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.25 -14.09 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -1.82 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.03 27.79 51.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' SER . 1.1 tt0 -118.25 137.21 53.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 11.3 pt20 -82.56 121.71 27.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.1 mt -77.58 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -68.97 119.81 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.658 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 1.6 tt -152.6 161.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.432 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 42.3 m-20 -149.76 159.58 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -10.42 39.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -51.21 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 1.2 m-85 -117.86 -26.55 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 88' ' ' PHE . 41.5 t-20 34.35 41.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 p -140.14 162.17 35.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.584 ' HE1' ' CE2' ' A' ' 91' ' ' PHE . 3.8 p90 -165.26 162.06 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -118.69 128.28 54.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.62 ' HE2' ' CE1' ' A' ' 93' ' ' TYR . 1.4 t80 -149.51 140.12 22.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.475 ' OD2' ' CD1' ' A' ' 32' ' ' LEU . 25.9 m-20 60.09 20.07 9.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.41 -26.21 12.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 97' ' ' SER . 2.3 mp -69.41 163.27 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -128.6 100.14 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -91.21 149.49 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -155.86 121.37 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.493 ' CD1' HD23 ' A' ' 64' ' ' LEU . 6.9 mt -96.25 106.57 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -80.19 136.7 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 3.1 p-10 -133.16 131.47 40.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -176.3 159.42 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -48.61 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.19 164.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t0 59.94 109.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -44.07 167.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.61 53.24 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.78 118.59 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -70.73 165.06 49.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.95 51.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.625 ' HE1' ' CE2' ' A' ' 7' ' ' PHE . 34.3 m-85 -142.78 174.76 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.91 145.39 7.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.473 ' CG ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -94.85 146.16 24.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.93 118.99 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 96' ' ' ILE . 20.9 t -113.41 111.91 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.57 132.08 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp -92.82 154.96 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -74.97 -19.86 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -68.96 -6.37 27.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.57 9.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.14 164.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -157.52 128.21 2.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.05 166.75 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 138.81 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.671 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 96.4 m-85 -123.98 156.19 66.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.64 32.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.504 1.791 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.2 tm? -117.95 135.58 54.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.579 ' CE2' HD13 ' A' ' 4' ' ' LEU . 6.8 m-85 -118.75 154.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.588 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -83.32 117.19 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.92 -154.93 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -74.74 128.43 35.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' LEU . 97.1 m-20 -131.38 156.29 45.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 9.5 tp -135.02 153.56 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CG2' HG22 ' A' ' 53' ' ' VAL . 2.4 mp -128.59 139.31 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.487 ' CG1' ' CD1' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -106.18 147.67 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -132.27 123.86 27.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.2 -155.98 29.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.04 1.66 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 0.833 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.477 ' CG2' HD13 ' A' ' 61' ' ' ILE . 3.6 m -45.45 -27.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.346 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 52' ' ' PRO . 12.0 tt -75.24 -46.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -12.27 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 t -125.18 18.5 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 63.5 tp -89.79 167.8 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 33.2 mt-10 -105.87 157.84 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.609 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 3.5 m-85 -127.27 162.94 25.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.27 -89.78 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -7.49 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.81 9.76 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -86.16 45.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.651 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -74.82 -48.5 4.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.942 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -74.95 161.35 39.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.822 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.19 -21.17 50.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -171.06 136.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 40.8 mt -113.77 148.66 16.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.671 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -136.88 111.3 9.45 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' VAL . 47.3 t -133.1 62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -76.46 4.35 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -87.75 15.81 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.6 t -121.62 152.13 39.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -86.91 -9.13 56.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.52 168.91 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.562 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -122.27 153.79 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 157.81 -172.63 35.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.416 1.073 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CD1' ' CG1' ' A' ' 31' ' ' VAL . 15.5 mm -137.1 166.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.6 mt -149.8 163.13 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.647 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 9.2 m-85 -126.71 146.35 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER -147.26 112.72 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.85 113.76 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.429 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -114.14 141.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.537 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 6.0 t -96.48 170.55 9.14 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -81.77 -13.77 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -82.83 8.61 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.9 t30 81.46 46.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.416 ' HB ' ' CB ' ' A' ' 67' ' ' SER . 11.0 mm -110.87 145.55 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.49 118.41 16.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.88 131.69 53.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD1' HG22 ' A' ' 84' ' ' ILE . 28.5 m-85 -106.31 154.89 20.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.89 166.44 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -104.66 154.88 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.556 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -64.84 -11.23 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -76.97 0.3 21.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.52 35.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CB ' ' OD1' ' A' ' 76' ' ' ASP . 13.8 mm-40 -117.5 162.53 17.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -94.9 153.5 17.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.092 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.3 mt -127.87 116.26 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -81.39 120.5 25.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.579 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.82 144.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 89' ' ' ASN . 3.1 m120 -74.05 131.5 41.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -21.12 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.29 -22.32 52.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.77 -24.01 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ASN . 81.7 m-20 39.62 44.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 155.21 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 6.9 p90 -146.21 174.52 11.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -132.67 143.37 49.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.635 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 7.8 t80 -162.43 145.59 11.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 54.76 21.97 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.59 -28.11 7.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -70.51 161.58 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -117.41 142.6 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.642 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 3.4 m-85 -124.53 152.61 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -156.42 122.76 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.473 HD12 ' CG ' ' A' ' 9' ' ' LEU . 2.0 mm? -102.99 108.73 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -80.04 146.19 32.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 10.6 p-10 -126.31 160.24 30.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.7 144.03 30.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -41.57 158.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.232 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.79 143.12 43.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.47 -53.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 p -169.47 139.65 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 2.5 t-20 -127.87 60.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.579 HD11 ' CE2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -114.51 116.99 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -61.71 152.03 76.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' MET . 18.3 Cg_endo -74.95 48.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.579 ' CE2' ' CB ' ' A' ' 102' ' ' ASN . 8.3 m-85 -133.99 165.65 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.449 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.5 mtt180 -153.59 149.97 28.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' HD12 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -93.0 151.32 19.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -135.21 136.67 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.354 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' CG1' ' OD2' ' A' ' 55' ' ' ASP . 3.0 t -136.89 108.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -109.42 135.58 50.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 55' ' ' ASP . 7.8 mp -98.96 155.21 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -69.52 -23.87 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -68.63 -6.82 28.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 24.89 10.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.06 162.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -161.39 150.31 19.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.9 163.35 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' CB ' HD23 ' A' ' 10' ' ' LEU . 1.5 mp0 -141.3 152.21 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.652 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 12.0 m-85 -146.87 157.06 47.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.94 -170.6 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -174.3 140.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.641 ' HE1' ' CE2' ' A' ' 24' ' ' TYR . 5.3 m-85 -109.92 142.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -57.35 118.89 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.26 -155.73 23.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.9 m-80 -71.58 126.81 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -125.01 156.86 37.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.5 mt -133.32 148.22 51.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 53' ' ' VAL . 41.2 mt -126.25 104.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.497 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -72.88 152.73 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.077 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -132.25 121.81 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.587 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.23 -156.02 51.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -83.71 0.83 45.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.453 HG23 ' CG1' ' A' ' 61' ' ' ILE . 22.0 m -45.19 -28.72 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HB ' ' CG2' ' A' ' 31' ' ' VAL . 3.2 tt -66.92 -40.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -58.78 -14.92 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.8 t -137.13 19.74 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 58.6 tp -80.06 164.76 23.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 17.6 mt-10 -116.75 163.71 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.653 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 6.0 m-85 -135.89 164.14 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 111.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.65 161.38 14.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -87.97 -34.99 17.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 0.827 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.42 9.81 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -122.44 36.42 4.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -67.37 116.97 42.27 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 156.23 43.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.776 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.3 tp10 -76.1 -24.38 55.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 24' ' ' TYR . 23.5 t30 178.21 131.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 51' ' ' ILE . 14.2 mt -111.41 144.35 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.495 HG13 ' CB ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -136.14 113.42 10.52 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.05 151.25 39.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 30' ' ' ILE . 32.0 t -122.45 69.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -78.14 4.23 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.484 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 4.2 p30 -87.92 15.34 7.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -113.41 138.14 50.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -7.35 38.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 -176.0 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.921 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.587 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 29.1 p30 -126.66 174.08 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.81 -171.7 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.453 ' CG1' HG23 ' A' ' 35' ' ' THR . 19.9 mm -141.57 151.04 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 0.8 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.3 mt -139.98 163.85 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 13.7 m-85 -128.63 142.32 51.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -148.96 117.89 6.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 ' N ' HD13 ' A' ' 64' ' ' LEU . 18.1 m -118.09 136.2 53.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -132.76 115.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.14 155.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -61.9 -14.49 34.63 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 66.4 m-20 -84.05 1.6 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.2 t-20 79.66 35.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 36.1 mm -104.35 103.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.4 p -93.03 151.9 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.1 120.56 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 12.9 m-85 -101.71 155.08 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.426 ' OG ' ' C ' ' A' ' 80' ' ' GLU . 3.1 t -163.59 150.94 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.438 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -91.58 157.74 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.39 -14.76 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 -3.64 27.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.94 26.61 44.37 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.426 ' C ' ' OG ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -117.97 129.47 55.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.0 pt20 -74.84 133.41 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.438 ' CG1' ' OD2' ' A' ' 76' ' ' ASP . 5.7 mt -100.53 131.79 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -84.32 120.29 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.575 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.28 142.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -78.59 104.39 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -58.42 -21.47 50.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.42 -24.41 62.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 88' ' ' PHE . 63.0 m-85 -116.09 -20.57 9.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 43.66 55.32 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -167.02 163.66 15.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.186 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.609 ' HD2' ' CD1' ' A' ' 91' ' ' PHE . 4.0 p90 -155.86 175.38 14.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -135.87 148.71 48.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.655 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 2.5 t80 -166.21 147.19 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 57.54 24.02 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.44 -30.51 5.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.498 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.2 mp -66.33 163.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.498 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -123.01 108.99 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' A' ' 53' ' ' VAL . 25.0 m-85 -92.89 158.81 15.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -160.28 132.33 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 9' ' ' LEU . 3.1 mm? -109.36 105.63 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.99 146.28 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.579 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 51.2 p-10 -129.1 161.03 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -132.37 162.3 31.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.85 99.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.32 171.54 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -116.73 126.78 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -52.56 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -119.65 64.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.93 117.07 29.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' CB ' ' CG ' ' A' ' 25' ' ' TYR . . . -62.27 166.01 7.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' C ' ' CD1' ' A' ' 7' ' ' PHE . 18.2 Cg_endo -75.01 48.73 2.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 45.8 m-85 -147.43 157.67 43.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -144.83 147.22 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -95.34 148.45 22.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.65 146.73 38.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.561 HG11 ' CE2' ' A' ' 98' ' ' PHE . 4.7 t -138.88 118.02 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -118.01 134.68 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp -97.73 158.16 15.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -72.97 -22.27 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -6.64 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.28 25.95 9.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.79 160.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -158.22 142.08 8.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.93 165.24 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.83 147.17 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.584 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 65.7 m-85 -137.04 156.08 75.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -74.99 150.41 38.13 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -128.22 128.83 45.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.635 ' HD1' ' CD2' ' A' ' 24' ' ' TYR . 4.2 m-85 -111.66 143.27 42.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.654 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -63.13 129.77 41.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . 125.96 -155.66 19.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.487 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 2.5 m-20 -77.01 129.75 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -131.3 156.16 45.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' CD1' ' HG3' ' A' ' 47' ' ' PRO . 95.6 mt -138.82 150.63 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 19.9 mt -118.27 120.97 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 6.4 t -89.64 107.25 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -104.34 96.84 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 132.69 -176.78 19.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -82.31 1.6 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.0 m -45.48 -40.17 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' CD1' ' HG3' ' A' ' 52' ' ' PRO . 15.7 tt -54.8 -47.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -25.42 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -98.94 -19.33 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.3 176.85 9.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.91 175.9 8.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.601 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 21.1 m-85 -128.19 172.56 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.17 -101.59 2.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.69 -8.55 56.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.229 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -97.98 9.91 41.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -85.19 45.9 1.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.527 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -44.32 -49.32 24.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 110.995 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.1 Cg_endo -75.04 161.92 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.575 1.829 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -169.88 125.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.6 tt -112.45 126.69 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -118.2 108.15 42.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.527 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 167.24 27.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.493 ' CG2' HD21 ' A' ' 32' ' ' LEU . 2.8 t -134.37 82.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -78.13 4.1 13.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD2' ' CG1' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -96.24 16.12 19.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.476 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 93.2 p -131.06 148.29 52.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.043 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -9.75 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -77.08 169.67 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.054 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -126.87 138.79 53.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 152.43 174.31 22.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.8 mp -138.69 122.4 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -94.79 164.07 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.649 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 3.8 m-85 -114.92 142.15 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.14 104.48 3.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 24.5 m -115.29 131.24 56.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 72' ' ' CYS . 1.7 pt -124.8 144.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.503 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -99.44 155.95 17.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -12.0 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.91 18.91 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 67.19 48.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.503 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.5 mp -114.22 151.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 20.2 p -135.43 145.46 47.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -150.48 113.67 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.518 ' CG ' HG23 ' A' ' 84' ' ' ILE . 6.0 m-85 -101.0 154.64 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 1.8 m -162.66 162.78 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.67 160.98 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -56.6 -16.01 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.17 1.48 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.55 26.61 69.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 3.4 mt-10 -117.66 128.94 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 12.3 pt20 -71.69 134.11 46.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 ' CD1' ' OD2' ' A' ' 76' ' ' ASP . 6.9 mt -100.42 124.75 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -75.09 120.48 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.518 HG23 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.1 134.79 55.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 1.065 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 89' ' ' ASN . 5.2 m120 -59.92 129.88 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -80.67 -26.49 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.3 -16.71 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.491 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 65.0 m-20 42.6 56.77 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.6 p -164.41 -177.5 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.433 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 14.6 p90 -170.87 176.02 4.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 3.6 tt0 -139.67 134.54 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.621 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 37.2 t80 -157.37 147.27 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.1 20.94 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.95 -21.14 25.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.592 HG22 ' CZ ' ' A' ' 98' ' ' PHE . 9.3 mt -73.46 164.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -128.31 97.19 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.592 ' CZ ' HG22 ' A' ' 96' ' ' ILE . 59.9 m-85 -91.99 155.81 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.499 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -154.66 142.91 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.562 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.485 HD12 ' CG ' ' A' ' 9' ' ' LEU . 3.9 mm? -114.07 105.05 12.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.01 145.78 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -124.72 146.53 49.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.2 mtp -115.01 154.4 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -76.21 -62.62 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.76 160.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -177.37 163.52 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -169.47 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -106.34 82.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.9 118.13 33.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . . . -60.87 152.22 70.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.574 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.94 42.23 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 7' ' ' PHE . 3.1 m-30 -114.46 -176.35 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.19 137.1 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -106.74 141.3 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -136.8 141.3 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 98' ' ' PHE . 76.5 t -135.58 107.84 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -100.0 131.26 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.531 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -104.65 164.59 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.541 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.35 -20.57 55.68 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -68.92 7.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.75 19.48 71.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.531 ' HB ' ' CD2' ' A' ' 13' ' ' LEU . 45.0 t -103.68 169.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.71 131.3 3.11 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.84 134.11 54.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 27.8 tt0 -111.36 115.5 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 49.2 m-85 -108.09 157.56 35.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.01 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -161.72 146.32 13.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.617 ' HE1' ' CE2' ' A' ' 24' ' ' TYR . 6.5 m-85 -120.88 143.52 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -62.83 113.29 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.69 -154.84 22.31 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 3.5 m120 -72.27 133.81 45.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -132.24 157.21 44.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 50' ' ' ILE . 9.8 tt -131.64 152.64 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 31' ' ' VAL . 15.1 mt -127.59 146.59 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -118.3 140.19 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.387 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -130.29 108.98 10.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.02 -156.42 18.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.4 ptm180 -82.98 -1.95 53.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.495 ' CG2' HD13 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -46.07 -34.05 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 7.0 tt -62.35 -43.18 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -65.3 -9.86 27.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -134.18 20.1 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' THR . 54.7 tp -82.63 164.42 20.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 6.2 mp0 -128.91 169.15 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 11.0 m-85 -136.8 165.34 26.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.17 -178.53 18.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -95.02 -54.16 3.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.26 9.37 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.17 44.52 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.219 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -106.66 140.16 21.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 163.58 35.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.0 tp10 -58.41 -37.78 76.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -174.3 142.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 ' CG2' HD21 ' A' ' 29' ' ' LEU . 3.2 mt -106.44 148.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -134.03 111.54 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.05 163.3 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 22.6 t -133.21 74.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.5 p -78.18 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.66 15.76 9.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 86.7 p -121.11 150.68 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -95.91 -1.9 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.8 m -113.69 172.76 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 1.3 p30 -109.47 177.61 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 131.56 173.24 13.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.495 HD13 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -136.69 149.72 26.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 7.9 mt -129.45 164.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.596 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 15.5 m-85 -125.39 143.91 50.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -149.25 120.45 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 91.8 m -125.59 136.26 53.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.66 141.72 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -104.21 149.85 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -60.27 -15.55 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 44.0 m-20 -81.27 1.8 30.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.0 t-20 79.2 40.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.91 104.47 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.37 153.39 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.262 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.47 118.74 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 16.6 m-85 -93.85 161.96 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.41 165.34 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -109.02 153.72 23.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 3.0 tm-20 -62.57 -12.34 22.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -4.07 27.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.04 25.12 38.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -117.69 162.1 18.59 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.429 0.723 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -90.12 154.61 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.362 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.8 mt -125.31 121.73 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.41 120.52 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.577 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.07 143.87 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ASN . 17.6 m-20 -76.72 126.52 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 t -77.73 -21.06 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.01 -19.36 51.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.615 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -116.34 -24.37 7.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ASN . 79.0 m-20 44.31 38.58 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.86 151.47 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.637 ' HE1' ' CE2' ' A' ' 91' ' ' PHE . 2.5 p90 -142.8 176.33 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -131.09 146.79 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -165.44 139.84 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.57 21.08 8.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.26 -28.9 8.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -66.56 162.38 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -124.4 104.94 9.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.902 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 50.9 m-85 -83.84 159.29 21.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -160.41 116.18 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.565 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 64' ' ' LEU . 7.0 mp -110.3 117.68 34.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 144.32 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.572 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -127.66 135.84 50.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -103.09 89.7 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.51 162.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -141.54 111.22 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.53 -60.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 tttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -169.04 95.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -161.19 147.25 14.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.27 118.86 34.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.589 ' CB ' ' CD2' ' A' ' 25' ' ' TYR . . . -70.81 163.49 64.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 53.08 3.19 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.612 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 41.8 m-85 -142.22 173.17 11.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -160.88 141.93 11.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -91.75 147.04 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.93 114.59 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 96' ' ' ILE . 38.1 t -103.44 107.72 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.56 132.69 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.06 162.93 12.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -73.77 -22.38 59.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -5.48 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.09 25.81 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -95.79 160.55 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.18 103.95 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.78 164.82 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.46 134.02 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.649 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 91.4 m-85 -121.96 158.05 55.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 139.08 24.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.591 1.837 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -111.71 134.59 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.602 ' CE1' ' CG ' ' A' ' 49' ' ' ASN . 5.1 m-85 -118.2 155.31 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.589 ' CD2' ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -82.74 120.76 26.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.07 -154.78 18.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' ND2' HG22 ' A' ' 65' ' ' THR . 8.6 m120 -72.16 131.21 42.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 m-20 -125.57 157.77 36.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.471 HD21 ' CG2' ' A' ' 50' ' ' ILE . 8.6 tt -131.24 152.45 50.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' HG21 ' A' ' 62' ' ' ILE . 2.3 mp -132.04 144.23 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 1.1 t -114.01 148.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -132.21 124.69 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 71.11 -155.44 52.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -83.29 1.62 40.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.431 HG23 ' CG1' ' A' ' 61' ' ' ILE . 19.3 m -46.62 -26.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.507 ' HB ' ' CG2' ' A' ' 31' ' ' VAL . 3.4 tt -71.84 -40.33 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ARG . 14.3 mt-10 -57.97 -14.86 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -136.28 20.32 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 52.5 tp -79.6 165.03 23.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 3.2 mm-40 -125.16 169.52 12.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -137.36 168.48 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.95 -175.05 13.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -95.15 -54.08 3.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.14 9.56 35.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -118.18 40.68 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.227 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 115.65 65.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 159.59 40.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.44 -24.87 63.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.602 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 18.9 t-20 -174.99 140.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 29' ' ' LEU . 3.0 mt -112.42 147.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.687 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -138.24 108.92 8.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 161.09 39.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.413 1.744 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 76.2 t -134.49 64.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 p -75.47 3.6 8.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.58 16.48 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -107.41 149.58 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -82.51 3.76 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -136.27 168.81 18.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.9 164.73 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 154.61 -168.83 32.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.415 1.072 . . . . 0.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 31' ' ' VAL . 17.6 mm -143.78 149.33 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 HG21 ' CD1' ' A' ' 30' ' ' ILE . 12.1 mt -134.53 162.48 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 37.8 m-85 -130.52 144.09 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.4 tp -150.07 130.33 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.432 ' N ' HD13 ' A' ' 64' ' ' LEU . 96.9 m -127.93 138.57 52.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -131.74 144.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.422 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.4 m -103.16 152.48 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.1 mttt -64.41 -12.19 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.1 m-20 -80.94 5.51 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.2 t-20 80.55 41.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.409 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -110.26 148.66 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.14 145.52 47.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 137.38 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.655 ' HD1' ' CD2' ' A' ' 74' ' ' PHE . 21.9 m-85 -110.7 163.95 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -166.67 158.77 13.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.423 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -103.78 153.54 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.57 32.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -4.16 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.74 28.06 30.3 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.27 161.18 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.1 129.51 51.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 76' ' ' ASP . 6.3 mt -101.89 113.48 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -72.25 123.41 22.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.525 HG23 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -125.85 146.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.09 118.37 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 m -71.13 -18.27 62.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -75.29 -22.55 57.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.643 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -116.37 -24.32 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 6.7 t-20 39.98 59.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER -162.93 158.28 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.062 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CE1' ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -170.79 178.02 3.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -137.64 153.07 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -167.52 143.22 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.99 26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.03 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.488 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 5.7 mm -68.67 153.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -124.61 94.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 74.7 m-85 -76.23 158.09 31.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -159.23 119.0 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 9' ' ' LEU . 3.0 mm? -100.98 105.15 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -100.22 146.02 27.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -85.1 115.9 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -69.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -171.37 104.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.91 123.47 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.18 -54.7 2.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -167.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.995 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -105.32 126.59 52.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.88 120.4 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.542 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -68.14 164.4 42.57 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 52.7 3.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.655 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 34.3 m-85 -138.9 168.32 20.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.88 137.14 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.66 148.69 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -138.09 137.67 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.65 114.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 13.1 ptpt -111.69 130.35 55.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mp -98.11 158.71 15.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 p -70.03 -22.41 63.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -68.77 -5.59 21.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.71 25.11 16.02 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.28 154.76 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -152.38 112.27 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.487 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 1.1 m-20 -108.46 168.25 9.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' CB ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.07 135.97 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.623 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 91.6 m-85 -124.31 154.14 68.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.67 28.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -110.98 134.64 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CD1' ' CG ' ' A' ' 49' ' ' ASN . 6.3 m-85 -118.57 154.32 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.606 ' HE2' ' CE1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -82.61 114.27 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 66' ' ' ILE . . . 133.65 -155.38 21.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 6.7 m-80 -69.44 116.12 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 66' ' ' ILE . 13.7 m-20 -122.55 115.14 21.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.99 150.51 20.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.3 mt -125.61 108.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.518 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -76.26 152.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -133.21 126.9 32.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.576 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 62.85 -151.53 47.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' GLU . 6.2 mtm180 -83.3 1.08 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 60' ' ' GLY . 33.3 m -45.97 -25.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' HB ' ' CG2' ' A' ' 31' ' ' VAL . 4.0 tt -70.17 -41.2 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' ARG . 12.5 mt-10 -72.62 -3.49 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -138.03 19.69 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 49.9 tp -80.48 164.5 22.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 1.7 mp0 -111.8 161.45 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.651 ' HD1' ' CD2' ' A' ' 41' ' ' PHE . 1.1 m-85 -135.01 157.44 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.23 -132.42 1.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.425 1.078 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -94.86 -9.81 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.81 11.43 39.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' HD3' ' A' ' 47' ' ' PRO . 1.7 t-20 -80.96 47.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.504 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -133.44 58.73 35.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -75.05 164.01 34.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -80.6 -21.83 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.604 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER 176.36 133.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -115.27 131.71 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -123.47 111.36 29.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.44 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 152.44 40.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 t -129.79 63.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -76.6 4.42 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 12.32 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -110.74 139.3 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.12 -13.02 31.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.5 m -117.03 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.576 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -128.81 175.82 8.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.72 -166.28 28.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.7 mm -141.16 159.61 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 0.71 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 6.2 mt -148.36 159.13 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 6.9 m-85 -119.01 141.45 48.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.532 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.88 94.22 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.454 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -99.86 123.83 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -120.98 142.9 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.087 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' ILE . 44.7 t -103.64 163.02 12.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 4.1 ttpt -71.36 -13.72 61.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.5 m-20 -82.3 2.43 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.9 t30 79.24 39.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.252 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 24.6 mm -114.87 104.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.29 140.62 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.02 119.9 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CD1' HG22 ' A' ' 84' ' ' ILE . 33.5 m-85 -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.482 ' C ' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -162.34 169.17 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.67 154.03 22.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -64.7 -11.05 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -1.85 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.07 28.9 29.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.71 162.51 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.87 145.86 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 75' ' ' SER . 73.7 mt -117.33 117.81 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 120.78 26.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -118.24 142.55 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -69.67 124.16 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -15.77 58.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -18.04 34.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.654 ' HE2' ' CE1' ' A' ' 88' ' ' PHE . 9.8 m-85 -117.84 -25.02 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.477 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 78.6 m-20 41.71 54.64 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.2 m -157.83 165.58 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 3.7 p90 -161.63 168.76 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -129.72 138.09 50.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.16 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.651 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 1.3 t80 -157.87 141.11 15.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 59.56 22.26 10.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.4 -28.37 7.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.9 mp -66.11 163.39 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.497 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -125.73 117.74 24.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.659 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 51.3 m-85 -94.82 155.98 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -159.56 110.12 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.618 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.9 mp -106.12 103.23 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -133.89 148.34 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -66.4 140.64 58.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 3.2 tpp -164.28 84.63 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 103' ' ' MET . 2.0 ttm105 77.91 149.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.0 153.91 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.12 149.54 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' HA ' ' CE ' ' A' ' 107' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -168.83 -176.99 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -88.82 44.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.585 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.75 117.6 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.587 ' CB ' ' CG ' ' A' ' 25' ' ' TYR . . . -65.02 165.32 16.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' CD ' ' CE2' ' A' ' 25' ' ' TYR . 18.5 Cg_endo -74.91 51.91 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 39.6 m-85 -141.16 173.59 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.33 138.82 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.496 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.99 148.69 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.615 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -140.95 144.4 35.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 98' ' ' PHE . 53.0 t -140.24 116.0 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 142.97 40.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.42 156.26 18.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -26.14 58.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.13 -7.64 37.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.82 20.81 30.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.92 170.44 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.38 129.77 2.09 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.557 1.16 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.2 129.43 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.25 119.38 39.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.579 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 73.3 m-85 -106.2 160.04 27.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.98 143.87 29.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -118.61 133.72 55.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.585 ' CE2' HD13 ' A' ' 4' ' ' LEU . 6.1 m-85 -117.92 148.13 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.62 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -76.48 122.95 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -154.85 20.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 48' ' ' GLU . 8.6 m120 -69.87 117.9 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 0.804 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -114.76 156.77 24.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.068 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 63' ' ' TYR . 2.3 tm? -132.12 150.52 52.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.523 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 10.2 mt -133.72 112.85 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 53' ' ' VAL . 43.8 t -91.51 144.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -125.93 116.88 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 94.13 -164.34 25.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.596 1.185 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 1.2 42.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -45.44 -36.97 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' CD1' ' HG3' ' A' ' 52' ' ' PRO . 4.2 tt -53.94 -43.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -39.04 91.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.28 4.14 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -93.01 176.63 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.13 173.57 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 46' ' ' PHE . 24.6 m-85 -127.57 170.31 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 164.09 37.19 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.412 1.07 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.98 -52.27 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.15 9.16 14.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.44 40.55 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.656 ' HE1' ' CE2' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -143.43 171.67 6.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 155.64 42.64 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.504 1.792 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -57.14 -21.31 31.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 4.3 t-20 -169.82 130.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 29' ' ' LEU . 2.9 tt -116.85 140.45 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.581 HD13 ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -139.2 106.99 7.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' VAL . 47.4 t -133.88 67.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.0 p -76.31 4.84 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.448 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' OD1' ' CG1' ' A' ' 11' ' ' VAL . 1.1 p30 -85.85 15.48 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 p -117.29 162.22 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 -2.81 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -122.61 173.62 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.563 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -108.61 177.75 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 148.49 175.22 20.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' HB ' ' CB ' ' A' ' 77' ' ' GLU . 19.0 mm -142.91 155.33 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -149.18 157.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.53 ' CD2' HD21 ' A' ' 29' ' ' LEU . 40.3 m-85 -124.11 144.95 49.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.1 tp -149.92 120.69 7.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.423 ' N ' HD11 ' A' ' 64' ' ' LEU . 85.5 m -123.6 135.18 53.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 4.7 pt -131.33 144.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 23.0 t -98.67 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -75.54 -13.27 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 8.5 m-20 -79.56 5.68 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.6 m-20 79.78 42.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.1 mp -113.78 147.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.6 p -135.17 150.0 50.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -155.49 120.54 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.659 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 15.4 m-85 -94.34 162.31 13.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -161.3 166.31 27.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -106.36 157.76 17.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HB ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.47 -8.76 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 11.48 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.39 32.41 65.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.6 161.91 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -94.93 146.9 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.486 ' CD1' ' C ' ' A' ' 75' ' ' SER . 48.5 mt -122.62 130.79 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.385 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -97.35 120.27 37.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.595 ' CG2' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -108.71 141.79 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.196 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ASN . 97.7 m-20 -66.03 133.91 51.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -81.18 -34.69 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -16.32 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.639 ' HD1' ' CD2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -115.9 -24.79 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASN . 14.7 m120 38.89 46.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -158.9 169.67 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.3 p90 -157.26 175.89 13.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 9.1 tt0 -135.82 143.48 45.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -166.44 147.8 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.92 21.21 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.78 -26.92 7.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.482 ' CG2' HG11 ' A' ' 11' ' ' VAL . 1.4 mp -71.34 161.81 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 0.804 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -119.95 107.7 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG23 ' A' ' 11' ' ' VAL . 45.2 m-85 -93.11 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p-80 -156.62 134.63 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.496 ' CD2' HD22 ' A' ' 9' ' ' LEU . 6.8 mp -115.51 113.49 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -84.26 145.21 28.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -120.22 159.01 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -43.66 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 63.11 145.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.84 145.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.34 -60.75 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.26 72.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 t30 178.92 49.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -115.79 116.17 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.48 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -59.81 148.14 76.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 49.24 2.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.549 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . 30.4 m-85 -134.33 165.82 24.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -153.73 146.82 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 11' ' ' VAL . 9.1 tt -94.8 156.47 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.62 136.55 36.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 96' ' ' ILE . 41.9 t -132.59 110.34 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -101.93 144.28 30.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 13' ' ' LEU . 5.8 mp -103.01 152.98 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -24.6 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -9.06 46.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 22.04 16.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.97 163.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -150.97 141.99 9.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.2 167.94 20.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.86 151.86 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.62 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 80.4 m-85 -145.68 154.36 51.95 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.88 2.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.549 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -171.4 137.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.652 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 7.3 m-85 -106.64 142.97 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -58.57 114.07 2.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.14 -154.1 22.67 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.568 1.168 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -72.28 132.67 44.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.71 157.67 39.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD21 ' CG2' ' A' ' 50' ' ' ILE . 5.7 tt -135.02 152.69 51.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' CD1' HG21 ' A' ' 62' ' ' ILE . 4.7 mt -128.02 146.95 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -117.23 147.18 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' ' 56' ' ' SER . 4.3 tp -132.95 134.74 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 80.36 -148.99 30.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -84.8 -7.47 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' LEU . 68.8 p -46.44 -30.13 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' CG1' ' HB3' ' A' ' 52' ' ' PRO . 3.4 tp -63.0 -37.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ARG . 18.8 mt-10 -79.13 -3.01 43.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -135.47 20.17 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' THR . 65.6 tp -79.18 164.76 23.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 35.8 mt-10 -129.22 166.87 18.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.633 ' HE2' ' CE1' ' A' ' 41' ' ' PHE . 2.3 m-85 -137.24 163.55 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.98 179.59 16.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -93.05 -54.64 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.03 8.65 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -123.35 34.54 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 41' ' ' PHE . 61.9 t80 -105.63 145.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.183 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.583 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.8 p-10 -178.67 143.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.401 ' CG2' HD21 ' A' ' 29' ' ' LEU . 8.9 mt -113.49 148.16 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -136.82 110.3 9.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.08 159.35 41.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 55' ' ' ASP . 59.4 t -135.59 71.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 p -79.09 5.08 12.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.503 ' OD1' ' CG1' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -81.37 6.68 13.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.456 ' CB ' HD12 ' A' ' 32' ' ' LEU . 1.4 m -108.33 154.52 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -89.36 -13.32 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.461 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.25 -171.9 2.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.544 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -135.22 153.3 51.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.08 -160.62 33.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.1 mp -152.29 156.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 8.0 mt -137.78 164.31 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.61 ' HD1' ' CD2' ' A' ' 63' ' ' TYR . 24.3 m-85 -126.1 141.48 51.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -150.06 122.63 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' HD13 ' A' ' 64' ' ' LEU . 24.3 m -125.81 139.3 53.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 72' ' ' CYS . 1.2 pt -134.03 143.65 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.409 ' CB ' ' HB ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -104.54 153.79 20.73 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 3.6 tttp -66.05 -11.01 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 4.8 m-20 -82.79 5.95 19.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 21.0 t-20 81.02 37.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.409 ' HB ' ' CB ' ' A' ' 67' ' ' SER . 17.7 mm -104.9 147.65 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.446 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 22.6 p -135.56 146.83 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.42 136.24 12.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' A' ' 91' ' ' PHE . 7.2 m-85 -120.13 164.68 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 74' ' ' PHE . 14.7 m -169.09 152.73 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.43 156.03 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.74 -19.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -67.6 -6.26 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.47 24.57 58.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -117.83 126.09 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.75 131.47 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.502 ' CG1' ' OD2' ' A' ' 76' ' ' ASP . 9.5 mt -86.21 141.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -70.92 120.66 16.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.6 OUTLIER -153.09 151.07 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ASN . 3.2 m-80 -148.27 167.62 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.5 p -68.96 -11.02 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -51.5 67.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -118.54 -26.25 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 88' ' ' PHE . 5.6 t30 34.17 44.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 t -148.04 173.71 12.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 36.7 p90 -174.35 176.52 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.67 144.35 37.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.635 ' HD2' ' CD1' ' A' ' 93' ' ' TYR . 2.5 t80 -166.27 146.83 6.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' CB ' ' A' ' 58' ' ' SER . 0.4 OUTLIER 62.2 26.19 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.13 -10.18 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.481 HG22 ' CG1' ' A' ' 11' ' ' VAL . 4.8 mm -88.9 157.82 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -120.2 95.43 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.028 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 78.5 m-85 -77.55 156.66 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -159.92 126.84 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -102.8 123.44 46.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -125.42 146.17 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.507 ' OD1' ' CZ ' ' A' ' 7' ' ' PHE . 8.3 t30 -102.11 116.06 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttt -179.58 109.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.84 104.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 41.12 81.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -40.6 113.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 tttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.22 174.25 10.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 t30 55.75 33.84 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD13 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.96 118.03 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -67.86 166.11 26.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.99 52.75 3.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.643 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 32.9 m-85 -145.67 175.67 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.95 142.65 10.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CG ' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -93.0 146.92 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.614 1.196 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.59 138.21 50.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' ' 96' ' ' ILE . 34.4 t -136.65 119.62 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.371 1.044 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -123.16 139.82 53.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.48 154.25 18.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -75.47 -19.67 59.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -68.5 -5.94 22.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.04 24.14 10.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.377 1.048 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.31 164.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -155.24 141.74 8.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.65 168.18 25.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.69 159.62 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.692 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 92.3 m-85 -142.52 153.75 62.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.3 Cg_endo -74.94 144.65 30.72 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -112.34 136.02 52.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 18.7 m-85 -118.38 156.85 28.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -84.37 120.45 26.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.11 -155.32 20.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 64.2 m-80 -77.47 132.6 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.1 m-20 -135.02 157.22 47.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 47' ' ' PRO . 14.2 mt -128.07 148.53 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.4 mt -123.71 104.93 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG13 ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -75.43 144.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.1 OUTLIER -131.99 107.73 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.529 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 101.48 -165.66 18.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.576 1.173 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -84.09 -0.24 51.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -46.28 -24.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' HB ' HG13 ' A' ' 31' ' ' VAL . 6.1 tt -70.51 -40.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -58.82 -14.91 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.1 m -118.83 19.17 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' CD2' ' C ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.65 173.93 9.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 5.6 mt-10 -102.52 159.97 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -125.11 166.33 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.65 -53.82 4.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.09 -5.52 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.54 9.0 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -94.97 23.89 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -80.21 -48.54 1.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -75.01 163.09 36.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.56 1.821 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.67 -28.51 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.29 143.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 mp -111.58 113.93 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.692 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.18 111.16 53.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.6 Cg_endo -74.98 156.57 43.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' HB ' ' CD2' ' A' ' 32' ' ' LEU . 15.2 t -133.1 62.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 p -75.03 4.38 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -82.55 9.89 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.37 163.52 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 -5.87 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.06 154.29 27.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.529 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -99.09 176.74 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 133.34 169.8 12.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.57 160.99 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.425 0.721 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 23.8 mt -142.65 163.53 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 10.2 m-85 -122.41 143.64 49.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -150.39 114.92 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.5 m -120.76 140.78 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -134.39 143.79 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -104.53 150.45 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -63.6 -12.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -84.34 2.97 37.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.7 t-20 80.23 39.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.6 mm -111.27 104.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.44 149.6 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 108.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.65 131.76 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' CD1' HD12 ' A' ' 84' ' ' ILE . 5.9 m-85 -112.94 165.19 12.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -166.26 146.25 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -98.86 154.41 18.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.98 -17.35 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -8.16 28.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.02 24.91 42.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.424 1.077 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.0 tt0 -117.93 157.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.361 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -97.83 114.69 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 110.252 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 75' ' ' SER . 3.4 mt -67.76 140.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.03 121.47 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.555 HD12 ' CD1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -152.29 146.59 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -150.42 -171.59 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -80.61 -15.98 55.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -51.33 67.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 89' ' ' ASN . 50.0 m-85 -118.72 -25.67 6.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 88' ' ' PHE . 6.4 t-20 35.36 43.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.226 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 36.0 p -157.13 -177.53 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' A' ' 91' ' ' PHE . 20.2 p90 -176.87 176.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 136.2 23.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.658 ' HE2' ' CE1' ' A' ' 93' ' ' TYR . 3.3 t80 -155.9 147.8 23.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 60.92 24.41 14.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.06 -26.82 9.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 HG22 ' CG1' ' A' ' 11' ' ' VAL . 4.6 mm -66.37 163.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.475 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -128.51 93.14 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.64 ' HD1' ' CD2' ' A' ' 98' ' ' PHE . 38.9 m-85 -79.19 153.82 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 7.4 t60 -159.2 116.67 2.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.674 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 9' ' ' LEU . 1.5 mm? -101.79 116.12 32.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.86 146.02 47.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.374 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -71.13 164.58 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.3 mmt -137.12 110.32 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.8 90.29 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -45.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t70 74.98 89.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -168.56 142.82 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 0.0 110.005 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.77 39.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD13 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.48 118.91 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.597 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . . . -70.05 165.0 47.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 52.96 3.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.617 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 34.3 m-85 -145.59 175.24 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.25 147.09 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -99.75 147.1 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.04 141.97 42.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG11 ' CG2' ' A' ' 96' ' ' ILE . 60.6 t -136.93 110.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -103.62 131.73 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -103.89 164.95 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.85 -19.71 52.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.5 7.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.07 . . . . 0.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 68.1 20.0 72.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 13' ' ' LEU . 58.8 t -103.85 169.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -153.35 135.55 4.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.578 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -117.82 123.48 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.14 115.03 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.624 ' HD2' ' CD1' ' A' ' 21' ' ' PHE . 95.9 m-85 -103.39 156.59 35.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.18 20.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -106.61 133.41 51.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.655 ' HD2' ' CD1' ' A' ' 24' ' ' TYR . 6.1 m-85 -117.69 156.19 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.586 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -85.03 117.54 24.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.65 -154.58 21.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.45 129.2 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' LEU . 80.6 m-20 -134.78 156.66 48.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 30' ' ' ILE . 6.6 tt -129.89 152.12 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.534 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 9.6 mt -124.19 104.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' A' ' 36' ' ' ILE . 1.2 t -72.96 150.05 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -131.86 116.81 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.52 -162.29 34.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLU . 77.8 mtt85 -84.86 2.44 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.515 ' CG2' ' CD1' ' A' ' 61' ' ' ILE . 99.5 m -44.89 -32.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' HB ' HG13 ' A' ' 31' ' ' VAL . 3.8 tt -65.68 -42.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -57.8 -14.57 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.2 p -133.63 19.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 65.7 tp -86.61 166.91 15.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 41.7 mt-10 -126.18 164.31 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -134.69 163.59 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 -159.77 8.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.419 1.074 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -94.97 -49.5 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.54 9.93 29.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -118.24 43.89 2.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.545 ' CE2' ' O ' ' A' ' 47' ' ' PRO . 4.8 t80 -137.54 131.19 17.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' O ' ' CE2' ' A' ' 46' ' ' PHE . 18.2 Cg_endo -75.03 160.18 40.39 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -21.43 66.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.558 ' CG ' ' CG ' ' A' ' 24' ' ' TYR . 6.0 m120 -168.78 125.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 tt -110.21 145.25 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.666 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -133.94 111.4 12.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 146.08 32.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.595 1.839 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' HG21 ' A' ' 30' ' ' ILE . 23.8 t -117.92 68.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 p -77.12 4.09 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.41 15.43 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.496 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 94.6 p -116.55 157.16 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 6.66 48.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.63 157.3 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.545 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -102.13 158.9 15.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 157.23 -167.14 33.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.515 ' CD1' ' CG2' ' A' ' 35' ' ' THR . 1.8 mp -150.94 162.81 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 3.4 mt -150.03 162.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 12.7 m-85 -118.33 146.61 44.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' ASN . 2.9 tp -146.51 107.27 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 117.89 35.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.95 138.31 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -105.14 151.78 23.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.7 mtpt -61.62 -17.3 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 43.6 m-20 -80.8 2.64 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CE1' ' A' ' 7' ' ' PHE . 4.5 t-20 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 71' ' ' ILE . 1.4 mp -108.69 107.12 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.76 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -144.14 110.0 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 33.2 m-85 -92.75 155.48 17.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.494 ' C ' ' CD1' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -158.68 166.03 32.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 160.13 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -9.29 24.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -83.53 9.57 11.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.15 31.01 64.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.1 mt-10 -117.48 158.98 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -93.98 137.6 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 75' ' ' SER . 31.4 mt -104.66 130.92 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -86.33 120.5 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -120.0 136.04 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.582 1.177 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -64.6 121.83 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -14.57 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.058 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.09 -17.37 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.634 ' HD2' ' CD1' ' A' ' 88' ' ' PHE . 0.3 OUTLIER -116.16 -22.21 9.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 110.935 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 43.14 47.34 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 p -155.96 164.15 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.0 p90 -154.59 175.2 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -135.52 147.41 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.04 144.38 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 56.28 23.38 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.37 -29.01 6.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.4 mp -65.62 163.1 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -127.66 113.71 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 53.7 m-85 -96.1 155.22 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.71 124.21 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.508 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 146.49 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 10.6 p-10 -129.92 117.98 20.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.38 -74.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.13 177.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -171.18 99.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.29 -59.39 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -159.15 147.67 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -91.26 33.32 0.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -116.25 121.58 42.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.585 ' CB ' ' CG ' ' A' ' 25' ' ' TYR . . . -73.64 164.91 57.61 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.3 Cg_endo -74.98 48.99 2.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.626 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 24.0 m-85 -147.98 157.43 43.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -138.56 157.12 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -104.17 148.09 26.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.4 121.06 13.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' CG1' ' CG2' ' A' ' 96' ' ' ILE . 18.5 t -118.99 108.83 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.9 OUTLIER -107.51 138.84 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' HD11 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -97.07 156.84 16.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 95' ' ' GLY . 2.2 p -73.25 -20.24 60.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.0 -3.44 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.02 24.92 15.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.02 157.86 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -145.22 143.38 11.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.075 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -143.52 156.36 44.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.33 135.52 35.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.604 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 92.2 m-85 -129.16 154.97 80.57 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.99 143.12 28.72 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -116.55 128.91 55.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' A' ' 4' ' ' LEU . 6.5 m-85 -113.6 143.59 44.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.652 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -66.63 125.4 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.11 -155.49 21.04 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.14 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.464 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.19 110.09 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' LEU . 51.1 m-80 -118.17 115.52 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 3.5 mt -98.97 144.16 28.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' CG2' ' A' ' 51' ' ' ILE . 3.1 mm -109.53 108.39 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.499 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 1.1 t -72.07 146.21 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -131.91 125.4 31.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.83 -156.08 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.1 mmt85 -83.95 1.07 45.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.482 ' CG2' HD13 ' A' ' 61' ' ' ILE . 1.2 m -47.47 -25.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' HB ' ' CG2' ' A' ' 31' ' ' VAL . 3.0 tt -71.4 -38.56 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -66.91 -8.27 28.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.6 m -135.04 18.24 3.46 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 57.7 tp -78.86 165.5 23.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 5.2 mm-40 -128.51 169.44 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -137.14 167.7 21.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.01 -170.87 12.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -94.99 -52.95 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -104.65 9.38 35.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.49 38.22 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.603 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 1.9 t80 -92.62 127.09 49.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.79 36.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -22.04 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.97 135.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 41.7 mt -116.12 122.21 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.519 ' C ' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -107.55 121.4 44.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HA ' ' CG1' ' A' ' 31' ' ' VAL . 18.3 Cg_endo -75.0 148.87 35.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 30' ' ' ILE . 79.8 t -134.77 59.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 p -76.76 4.61 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -3.89 22.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -104.51 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 5.56 50.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.2 m -120.48 148.81 43.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.565 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -102.65 156.31 17.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 156.41 -160.81 30.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 HD13 ' CG2' ' A' ' 35' ' ' THR . 1.0 OUTLIER -151.82 158.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 1.4 mt -139.23 160.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 77' ' ' GLU . 15.7 m-30 -115.02 138.41 50.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.59 96.2 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 4.8 m -109.9 126.95 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 23' ' ' LEU . 23.4 pt -127.13 142.32 43.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.613 1.196 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.494 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 28.5 t -97.23 163.49 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -13.21 61.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OD1' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -82.29 7.47 13.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 69' ' ' ASP . 3.6 m120 74.11 41.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.6 mp -115.18 103.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.3 p -93.13 142.52 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.59 110.43 5.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.652 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 24.1 m-85 -91.51 156.33 17.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 3.8 m -168.5 161.44 11.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.064 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -102.39 155.96 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -56.39 -16.43 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -7.67 35.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.42 24.04 41.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 8.5 tt0 -117.45 135.73 53.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 0.779 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.499 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.2 pm0 -79.08 141.73 37.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.7 mt -111.44 144.34 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -95.84 120.42 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.576 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -109.65 134.83 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 89' ' ' ASN . 15.0 t-20 -55.67 131.58 46.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.69 -33.4 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -14.94 59.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 1.621 ' HD2' ' CD1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -115.33 -24.56 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 9.5 m120 40.45 50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.7 p -159.77 169.36 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.8 p90 -158.72 175.8 13.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 43.2 t80 -162.33 145.67 11.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 60.75 20.54 10.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 14' ' ' THR . . . 91.8 -22.13 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 18.5 mm -71.03 161.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -125.54 92.97 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.638 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 64.9 m-85 -80.89 154.0 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -159.4 125.5 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.678 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 23' ' ' LEU . 2.2 mm? -100.49 105.62 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -80.43 144.44 32.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -133.4 163.07 30.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 ttp -141.22 162.37 35.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 145.2 48.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.83 174.45 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -102.24 -55.05 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.09 -169.24 3.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -93.4 61.86 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -115.27 116.78 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.533 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -55.22 144.21 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 44.19 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 7' ' ' PHE . 7.9 m-85 -134.99 161.43 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -137.17 145.01 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.02 146.35 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -129.25 141.19 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.537 ' CG1' ' CG2' ' A' ' 96' ' ' ILE . 66.9 t -140.23 116.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -112.96 144.22 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.8 155.07 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -26.24 59.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -68.34 -8.95 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.53 19.87 28.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.575 1.172 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.34 169.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.58 0.812 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -159.17 141.23 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.7 166.63 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.739 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 1.5 pm0 -143.05 145.62 33.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.605 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 10.2 m-85 -143.54 154.21 59.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 158.05 42.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD22 ' CB ' ' A' ' 7' ' ' PHE . 3.2 pp -144.28 128.44 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 24' ' ' TYR . 8.5 m-85 -96.26 143.5 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -59.45 117.21 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.66 -154.41 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.571 1.17 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.53 109.49 16.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -103.58 156.97 17.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 50' ' ' ILE . 8.1 tt -134.36 153.89 51.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 9.5 mt -126.36 146.56 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.45 146.8 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.14 124.53 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 91.73 -154.83 22.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLU . 4.9 ptt85 -83.81 -4.84 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.3 m -45.31 -33.58 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' CG1' ' HB3' ' A' ' 52' ' ' PRO . 5.9 tp -60.63 -42.39 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -76.06 -3.27 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.4 m -128.16 17.35 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 53.8 tp -89.55 164.05 14.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.435 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 17.5 mp0 -123.91 167.96 13.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.085 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -137.04 163.7 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.08 -103.61 0.73 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -86.82 -5.94 58.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.27 9.79 42.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -87.51 45.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.642 ' HE1' ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -48.4 -47.87 67.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.2 Cg_endo -75.01 159.15 41.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.21 -19.76 19.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 23' ' ' LEU . 15.7 t30 -145.28 115.77 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 5.1 mt -108.88 120.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -118.22 109.93 40.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.483 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 159.94 40.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG22 ' CG2' ' A' ' 30' ' ' ILE . 91.4 t -133.89 70.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.412 ' CG2' HG22 ' A' ' 36' ' ' ILE . 10.8 p -77.54 4.54 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' CG1' ' A' ' 53' ' ' VAL . 0.6 OUTLIER -85.08 11.38 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.42 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -116.75 152.83 33.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -91.46 -8.44 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 3.2 m -100.08 166.75 10.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.558 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -118.94 146.42 44.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.47 -167.65 36.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.4 1.062 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 35' ' ' THR . 1.2 mp -148.41 157.78 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 4.9 mt -137.84 164.26 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.643 ' HE2' ' CE1' ' A' ' 63' ' ' TYR . 30.1 m-85 -122.97 144.22 49.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.68 103.14 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.5 m -108.26 133.34 52.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.484 ' CG2' ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.42 144.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.422 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 17.8 t -103.02 166.43 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 11.1 tttm -77.02 -13.3 59.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.3 m-20 -80.74 5.67 15.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.3 t-20 80.26 44.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -114.54 147.01 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 20.8 p -136.05 149.47 48.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -158.16 116.47 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.618 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 62.7 m-85 -93.13 158.94 15.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -160.27 165.89 30.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.928 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -107.47 155.36 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.453 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -57.07 -16.21 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.23 -5.22 30.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.47 25.99 40.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.0 tt0 -117.12 160.9 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.41 135.53 36.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.401 ' CD1' ' C ' ' A' ' 75' ' ' SER . 8.0 mt -104.51 123.28 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.4 120.61 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.57 ' CG2' ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -114.81 143.82 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -72.57 133.13 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -20.44 40.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -85.92 -17.33 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.3 m-85 -115.36 -23.04 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 79.2 m-20 40.07 43.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 p -154.73 163.81 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.003 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.615 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.6 p90 -156.61 174.25 15.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.23 143.78 50.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 54.0 t80 -168.55 137.93 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-20 58.21 22.46 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.7 -29.41 7.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.537 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 6.0 mm -69.1 160.12 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.85 93.71 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.615 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 90.9 m-85 -71.32 158.09 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -160.58 111.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.568 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 23' ' ' LEU . 2.5 mm? -94.98 116.27 28.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -112.59 146.53 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.613 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 11.8 p30 -117.24 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 ptp -156.44 122.89 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 76.32 136.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.08 -179.71 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.16 108.22 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.11 134.48 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -170.36 -149.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -41.67 116.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.576 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . . . -76.99 169.18 22.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.22 2.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.56 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 19.3 m-85 -107.23 173.11 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.79 114.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -91.31 131.1 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -123.49 129.08 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.194 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.07 121.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.5 ptmt -109.64 145.45 36.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -103.57 158.22 16.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -26.51 62.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.351 1.032 . . . . 0.0 110.321 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -8.98 47.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.63 22.3 24.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 2.8 t -86.75 170.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 0.814 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -157.59 121.55 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -110.78 165.86 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.38 146.15 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.472 ' CB ' HG13 ' A' ' 51' ' ' ILE . 68.5 m-85 -146.88 152.08 43.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -170.74 126.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.606 ' HD2' ' CD1' ' A' ' 24' ' ' TYR . 5.6 m-85 -107.01 142.38 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.47 117.01 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.83 -153.67 22.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 4.4 m120 -79.31 141.55 36.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -143.66 158.69 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD23 ' CD1' ' A' ' 63' ' ' TYR . 17.8 mt -142.1 146.56 35.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CG2' ' CG2' ' A' ' 53' ' ' VAL . 12.5 mt -114.17 145.53 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.505 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 1.2 t -104.71 147.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER -133.0 123.36 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.591 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.57 -155.23 51.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.7 mtt85 -83.24 1.86 38.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.482 HG23 ' CG1' ' A' ' 61' ' ' ILE . 87.8 m -47.86 -22.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.489 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' HB ' ' CG2' ' A' ' 31' ' ' VAL . 1.5 tt -77.24 -39.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -55.29 -17.73 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.35 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.5 p -128.33 19.13 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -51.45 176.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -121.66 174.93 6.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.61 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 13.7 m-85 -137.26 170.08 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.42 165.04 28.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.3 -24.21 54.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -109.56 9.31 25.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.92 43.3 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.93 99.48 52.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' CG ' HD13 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.99 155.44 42.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.579 1.831 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.4 tp10 -69.39 -21.37 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -172.44 135.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.402 HD13 ' CG ' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -117.59 146.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -142.28 110.32 5.89 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' HD12 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.3 36.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.761 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' VAL . 57.7 t -134.79 49.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.16 3.99 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -6.78 22.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 t -92.8 176.04 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -97.68 -3.11 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.38 169.41 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.591 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 4.2 m-20 -115.54 176.88 4.88 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 143.41 -177.15 22.43 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' CG1' HG23 ' A' ' 35' ' ' THR . 16.1 mm -143.0 128.76 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.518 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 8.4 mt -112.38 165.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.66 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 20.9 m-85 -128.71 142.44 51.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.575 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -147.62 119.21 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' HD11 ' A' ' 64' ' ' LEU . 81.9 m -123.84 135.66 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.493 HD12 ' CE2' ' A' ' 7' ' ' PHE . 1.1 pt -134.24 108.94 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t -69.33 163.88 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 4.0 tttm -65.83 -21.42 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -76.76 -0.02 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 8.4 t30 77.43 45.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.4 mp -114.9 103.52 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 14.1 p -86.57 155.37 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 108.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 6.7 m-85 -92.78 164.21 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 135.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' OD2' ' CD1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -84.34 154.51 22.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 1.4 pt-20 -55.27 -17.7 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -69.2 -6.93 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.77 27.65 37.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 1.8 tt0 -117.04 118.01 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.36 115.71 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.428 ' CD1' ' OD2' ' A' ' 76' ' ' ASP . 3.5 mt -75.65 131.56 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -77.26 121.68 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -145.24 151.3 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 1.5 t-20 -149.73 -178.39 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.5 m -77.92 -8.28 57.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.2 -51.31 66.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.95 -25.84 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-20 34.98 50.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -165.39 174.31 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.626 ' HD1' ' CD2' ' A' ' 91' ' ' PHE . 22.5 p90 -171.8 174.53 4.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -130.79 143.95 51.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -164.01 135.79 4.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 59.17 21.09 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.21 -33.17 5.42 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.419 1.074 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 96' ' ' ILE . 1.9 mp -67.96 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.79 133.9 51.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.656 ' HD1' ' CD2' ' A' ' 98' ' ' PHE . 7.9 m-85 -111.56 155.31 23.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.454 ' CE1' ' HG3' ' A' ' 101' ' ' LYS . 5.5 t60 -152.88 114.53 4.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -98.45 104.08 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HG3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -88.25 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -133.66 164.06 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.5 ttm -114.11 -67.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 174.71 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.88 123.79 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -159.78 -47.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.864 ' N ' HD22 ' A' ' 49' ' ' ASN . 2.7 t30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 39.5 p -136.33 137.24 40.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 81.25 148.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.682 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -117.65 120.87 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -57.58 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 20.32 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.536 1.809 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' ALA . 7.0 m-30 -114.99 164.09 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -148.96 145.89 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -99.23 144.75 28.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.23 136.1 43.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG22 ' CE2' ' A' ' 21' ' ' PHE . 56.2 t -130.77 110.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.41 143.89 40.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 1.1 mp -103.2 157.43 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -74.62 -20.0 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -5.97 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.97 25.3 9.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -101.79 162.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -153.17 117.63 0.82 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.62 168.4 10.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.43 141.56 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CD2' HD13 ' A' ' 51' ' ' ILE . 38.6 m-85 -128.2 153.65 78.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.0 Cg_endo -75.08 144.51 30.09 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.604 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -117.6 131.7 56.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.682 ' CE2' ' CD1' ' A' ' 4' ' ' LEU . 3.8 m-85 -116.99 163.2 16.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.602 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -85.88 123.04 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.948 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.75 -155.34 22.6 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.46 106.48 14.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' LEU . 76.4 m-20 -100.29 157.74 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 tp -139.06 152.97 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mp -132.58 124.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG21 ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.5 119.0 55.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.8 tm? -111.48 96.85 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 121.5 -158.65 16.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.33 -1.72 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' LEU . 1.9 p -45.81 -40.92 10.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 52' ' ' PRO . 4.0 tt -63.06 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.12 -14.28 16.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.4 p -133.85 20.77 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.81 176.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -128.94 176.86 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -136.82 170.8 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -169.45 38.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -93.51 -45.02 7.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.1 9.29 38.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -114.82 42.41 2.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -114.69 102.72 54.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.51 35.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 -41.55 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.864 HD22 ' N ' ' A' ' 1' ' ' ASN . 21.5 m-80 -160.05 124.72 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.486 ' CG2' HG21 ' A' ' 31' ' ' VAL . 3.9 mt -101.25 141.4 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.589 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -126.97 107.48 22.08 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.505 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 165.89 30.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 31' ' ' VAL . 3.5 t -135.33 77.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -77.0 3.4 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -90.19 16.05 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -125.59 150.64 47.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -9.13 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.16 176.92 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -122.19 164.74 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 143.96 176.77 18.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.461 ' CD1' ' HB ' ' A' ' 35' ' ' THR . 27.8 mt -146.57 157.73 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 63' ' ' TYR . 82.3 mt -145.38 139.69 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.417 ' N ' HG21 ' A' ' 62' ' ' ILE . 11.1 m-85 -101.22 145.41 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' ASN . 4.4 tp -149.61 120.82 7.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 3.7 m -123.4 122.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 21.7 pt -117.11 126.44 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.82 147.23 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.575 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.16 -16.99 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -76.08 -0.33 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.8 t-20 80.4 39.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.5 mp -115.86 103.83 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.77 129.54 23.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.651 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 24.5 m-85 -104.46 163.71 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.65 154.5 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.998 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -13.48 10.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -73.53 -1.73 19.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.88 26.64 52.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -117.78 162.37 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 0.718 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.55 131.73 39.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.616 1.197 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.5 mt -89.05 137.1 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.58 120.62 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.558 HG22 ' CD1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -151.08 148.17 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.435 ' N ' HG13 ' A' ' 84' ' ' ILE . 36.9 m-80 -131.22 152.82 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -65.04 -11.23 36.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.951 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.46 -51.8 68.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.32 -26.58 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.5 p30 36.86 57.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 88' ' ' PHE . 1.5 m -165.25 171.32 13.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.41 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 21.7 p90 -179.32 169.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.2 tt0 -107.15 152.22 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -168.16 139.49 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 56.61 20.79 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -31.53 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.62 ' CG2' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.28 165.44 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.411 0.712 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.523 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -128.28 104.1 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.605 ' HE1' ' CE2' ' A' ' 98' ' ' PHE . 58.7 m-85 -95.57 154.85 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.02 117.32 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.535 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 8.8 mp -103.39 103.95 13.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.12 143.03 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -135.17 147.43 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.5 ttt -111.85 -95.2 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.1 tmt_? 177.49 -66.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 104' ' ' ARG . 23.2 tt0 -36.78 97.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ARG . 4.6 p-10 -96.24 122.42 39.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -166.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -101.71 95.32 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.56 HD13 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.95 117.58 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.553 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -61.77 166.13 6.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.92 49.48 2.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 34.2 m-85 -147.97 164.47 33.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -147.78 146.13 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 11' ' ' VAL . 7.1 tt -95.53 154.91 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -143.45 146.33 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 9' ' ' LEU . 6.4 t -139.21 125.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -113.41 141.51 46.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 13' ' ' LEU . 1.3 mp -104.57 155.78 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -24.72 63.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -68.15 -8.72 40.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.08 22.28 25.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.605 1.191 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 t -91.61 167.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.12 112.56 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -107.47 159.58 16.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 127.44 37.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.649 ' CD2' ' CD1' ' A' ' 51' ' ' ILE . 89.4 m-85 -113.4 158.91 37.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.605 1.191 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 142.59 28.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.74 126.8 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.645 ' HD1' ' CD2' ' A' ' 24' ' ' TYR . 4.3 m-85 -111.93 152.35 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.641 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -77.16 123.46 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.52 -154.57 21.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 1.1 m-20 -83.52 107.82 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -105.76 156.92 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 30' ' ' ILE . 9.6 tt -136.36 151.14 49.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 ' N ' HD22 ' A' ' 29' ' ' LEU . 4.0 mt -120.52 146.1 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 36' ' ' ILE . 1.2 t -113.64 146.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -132.82 125.02 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 77.57 -157.97 46.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -83.53 1.65 40.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 m -45.41 -25.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 31' ' ' VAL . 3.9 tt -79.98 -41.14 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ARG . 34.4 mt-10 -60.98 -29.47 69.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 m -98.48 2.06 47.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -99.2 175.77 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.32 175.78 6.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -136.55 169.66 17.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.72 -107.39 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -61.15 -15.62 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.68 10.08 36.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.87 46.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.589 ' HE2' ' CE1' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -44.87 -49.04 29.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.4 Cg_endo -74.94 151.83 40.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -19.22 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -143.05 118.88 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 ' CG1' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -112.41 123.18 67.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -121.73 110.04 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.6 Cg_endo -75.01 159.4 41.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 96' ' ' ILE . 10.9 t -135.04 62.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -75.21 3.36 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.04 12.32 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -101.21 167.51 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.77 -2.61 40.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.431 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -132.07 -179.28 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.606 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -116.64 168.67 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 153.07 -177.97 30.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 mm -140.77 137.69 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.516 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 22.3 mt -123.66 165.05 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 30.2 m-85 -129.48 144.23 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.29 113.07 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 40.3 m -119.46 131.2 55.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 23' ' ' LEU . 21.5 pt -128.21 144.7 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -102.47 150.65 23.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.4 mtmp? -65.21 -10.64 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 33.4 m-20 -82.75 8.37 12.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.1 t-20 80.06 44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.2 mp -115.34 142.94 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 4.3 p -134.98 137.85 43.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.43 138.41 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' A' ' 64' ' ' LEU . 11.2 m-85 -121.15 164.36 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 4.9 t -168.14 151.08 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -94.31 154.68 17.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.72 -16.69 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -67.45 -7.53 26.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.36 22.28 54.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 128.97 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -70.89 136.12 48.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.5 ' CG1' ' OD2' ' A' ' 76' ' ' ASP . 8.3 mt -92.33 133.3 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -70.9 120.75 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.6 OUTLIER -149.1 152.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 8.4 m-20 -149.36 -178.76 6.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -80.5 -5.76 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.93 -51.71 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -119.34 -26.32 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 88' ' ' PHE . 14.5 t-20 33.95 53.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.9 p -161.21 173.37 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 10.9 p90 -168.76 169.25 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.72 137.54 54.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 2.2 t80 -168.09 129.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 71.74 19.13 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 -26.47 8.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.561 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 30.2 pt -78.05 162.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -126.33 120.89 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.658 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 40.8 m-85 -95.96 154.04 17.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.569 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.99 132.1 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -108.99 111.14 22.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -126.24 146.7 49.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -47.41 161.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.8 ttt -78.53 152.57 31.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 146.92 23.27 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.66 -52.94 2.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -147.27 70.83 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.644 ' ND2' ' H ' ' A' ' 4' ' ' LEU . 7.4 t30 178.11 -165.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.644 ' H ' ' ND2' ' A' ' 3' ' ' ASN . 1.4 pp -40.47 124.67 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.667 ' CB ' ' CD2' ' A' ' 25' ' ' TYR . . . -56.68 173.05 0.32 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 50.75 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 102' ' ' ASN . 6.6 m-85 -117.1 174.76 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mpp_? -170.03 141.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 6.7 tt -92.13 156.44 17.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.58 143.7 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 9' ' ' LEU . 7.0 t -139.45 115.63 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.99 141.36 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -104.09 153.59 20.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.04 64.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -14.01 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.71 22.44 9.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -91.52 166.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.27 124.83 1.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.11 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.503 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -119.11 166.38 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -145.76 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.57 ' CD2' HD13 ' A' ' 51' ' ' ILE . 22.1 m-85 -146.64 158.71 45.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 135.71 19.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -107.86 124.04 49.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.61 ' CE2' HD21 ' A' ' 4' ' ' LEU . 2.8 m-85 -100.59 142.6 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.622 ' HD1' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -75.14 113.64 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.8 -154.8 23.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.84 105.35 3.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.8 m-20 -104.29 156.43 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.533 HD11 ' CD1' ' A' ' 63' ' ' TYR . 11.6 tp -136.81 153.61 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.466 ' CG2' HG22 ' A' ' 53' ' ' VAL . 2.5 mp -131.87 150.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 ' N ' HG21 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -119.49 153.2 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' CD2' ' OD2' ' A' ' 94' ' ' ASP . 21.4 tp -132.73 140.61 48.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.586 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 69.23 -151.09 50.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -83.93 -3.97 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.478 ' CG2' HD13 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -50.35 -21.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 52' ' ' PRO . 2.4 tp -65.75 -28.16 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -3.06 58.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.404 ' O ' ' CG2' ' A' ' 38' ' ' THR . 0.6 OUTLIER -136.85 19.83 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.595 1.184 . . . . 0.0 110.413 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 35' ' ' THR . 42.6 tp -75.66 164.17 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 10.2 mt-10 -129.46 169.47 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -137.26 164.95 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.11 169.09 12.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.44 -53.73 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.33 9.06 42.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -122.36 35.14 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.39 121.33 78.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 163.14 35.74 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -20.95 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.478 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 3.5 t30 175.11 138.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 2.5 mt -112.41 133.32 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -119.27 110.53 37.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 157.97 42.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.415 1.745 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 30' ' ' ILE . 61.1 t -132.72 70.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.7 p -78.06 4.17 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.43 16.71 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.459 ' CB ' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -107.0 164.96 11.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.66 -10.61 28.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 m -118.31 -174.92 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.586 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -129.91 157.95 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 32' ' ' LEU . . . 159.85 -161.27 32.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -150.03 156.35 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 mt -141.48 153.54 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.533 ' CD1' HD11 ' A' ' 29' ' ' LEU . 7.6 m-85 -115.71 146.14 42.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.9 tp -147.25 117.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.434 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -117.61 112.34 20.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 5.2 pt -116.8 134.8 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -103.1 149.4 24.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.59 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.9 mttt -62.8 -12.32 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -81.09 3.28 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 81.07 33.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 17.9 mm -105.92 103.05 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -92.52 133.85 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -140.77 140.71 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.66 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 6.8 m-85 -121.31 163.92 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -165.75 164.33 18.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.411 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.8 154.37 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -63.83 -11.63 28.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -74.81 -1.5 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.97 27.36 37.91 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -117.47 161.32 19.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -92.24 160.73 15.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 76' ' ' ASP . 52.3 mt -136.48 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.53 122.36 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -114.97 154.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.35 119.5 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -6.35 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -19.01 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.08 -25.02 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.3 m120 38.39 49.89 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -156.66 161.49 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 17.2 p90 -151.34 176.27 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 14.8 tt0 -139.3 145.55 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.62 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 5.3 t80 -168.26 147.35 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' OD2' ' CD2' ' A' ' 32' ' ' LEU . 25.1 m-20 58.71 21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.25 -27.52 6.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.1 mp -72.09 162.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.483 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -120.55 141.11 50.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 m-85 -122.16 152.15 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.09 125.28 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HG ' ' A' ' 9' ' ' LEU . 10.8 mt -102.09 104.82 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.213 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 146.16 29.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -125.62 163.81 21.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 ttt -38.65 -67.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -165.77 -44.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 67.53 104.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -101.48 109.21 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -51.41 171.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -119.65 61.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -113.95 117.1 30.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.582 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -63.9 165.72 12.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 49.87 2.36 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 2.8 m-85 -132.1 175.65 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -170.78 135.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -91.89 149.04 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mp -139.59 116.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 96' ' ' ILE . 2.6 t -109.86 108.89 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.645 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -117.09 135.58 53.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -94.13 170.88 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -79.92 -19.57 47.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.26 -6.23 33.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.02 24.85 7.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 2.2 t -97.22 152.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.645 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -162.48 103.04 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.385 1.053 . . . . 0.0 111.057 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.81 168.32 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE2' ' CZ ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -141.52 135.67 30.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.59 ' CD2' HD13 ' A' ' 51' ' ' ILE . 18.9 m-85 -126.06 160.16 58.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -75.01 157.92 42.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -137.91 126.04 22.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.608 ' HE1' ' CE2' ' A' ' 24' ' ' TYR . 4.2 m-85 -105.82 142.73 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.612 ' HD2' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -64.73 117.5 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.05 -154.6 22.88 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.559 1.162 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 48' ' ' GLU . 24.2 m-80 -74.53 125.84 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -128.62 157.69 40.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 47' ' ' PRO . 6.8 mp -137.54 150.9 47.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 ' CG2' HG22 ' A' ' 53' ' ' VAL . 36.4 mt -124.29 107.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.497 ' CG2' ' HB ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -73.44 149.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.04 126.9 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 68.68 -155.5 53.41 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' GLU . 11.7 ptt180 -83.55 2.24 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.458 HG23 ' CG1' ' A' ' 61' ' ' ILE . 50.6 m -45.82 -29.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' HB ' ' CG2' ' A' ' 31' ' ' VAL . 3.4 tt -68.9 -40.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ARG . 5.4 mt-10 -59.59 -14.79 14.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 t -133.95 19.64 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 58.4 tp -84.03 165.24 18.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.387 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 34.2 mt-10 -124.31 166.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.642 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 6.7 m-85 -135.74 163.76 29.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.87 164.35 15.01 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -90.97 -20.96 21.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 109.275 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.68 9.41 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.3 25.31 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 0.8 OUTLIER -54.31 112.05 3.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' CG ' HD12 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.99 162.64 36.81 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.409 1.742 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.67 -27.13 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -179.1 134.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 47' ' ' PRO . 8.3 mt -115.57 145.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.59 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -137.94 111.13 8.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.93 154.39 42.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG22 ' CG2' ' A' ' 30' ' ' ILE . 12.1 t -132.94 71.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.8 p -80.55 4.99 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' CG1' ' A' ' 53' ' ' VAL . 1.5 p30 -84.77 10.63 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 57.5 p -107.16 139.29 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -9.25 51.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 m -117.25 -177.63 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.577 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -131.68 158.4 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 162.19 -165.75 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' CG1' HG23 ' A' ' 35' ' ' THR . 21.9 mm -141.38 157.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 2.7 mt -141.72 164.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 21.6 m-85 -126.31 140.45 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.5 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 54.9 m -121.22 134.65 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 23' ' ' LEU . 33.4 pt -134.56 126.0 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 13.6 t -86.18 163.23 17.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -19.71 64.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.5 m-20 -76.0 -0.03 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 28.9 t-20 79.26 42.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.7 mp -115.43 103.75 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.627 1.204 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 31.7 p -92.46 155.2 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -158.75 113.86 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 74' ' ' PHE . 9.1 m-85 -92.91 157.35 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.78 159.6 24.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -101.56 157.54 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -15.66 12.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -71.2 -5.46 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.89 25.83 39.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.4 tp10 -117.56 148.09 42.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.74 150.28 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 76' ' ' ASP . 29.0 mt -122.27 134.47 65.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -90.79 120.74 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.579 ' CG2' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -112.51 143.01 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.3 t-20 -65.76 120.7 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -75.47 -16.2 60.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -89.78 -16.46 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -22.52 9.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ASN . 9.6 p30 40.8 47.11 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 p -160.62 164.64 31.69 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.608 ' HD2' ' CD1' ' A' ' 91' ' ' PHE . 9.3 p90 -157.01 175.82 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.26 127.02 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.6 148.55 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 53.76 26.45 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.48 -18.85 31.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.574 1.172 . . . . 0.0 111.036 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.451 ' CG2' HG11 ' A' ' 11' ' ' VAL . 8.5 mm -69.97 155.76 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.09 90.56 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.084 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.653 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 52.6 m-85 -80.26 151.45 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -159.86 113.33 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 9' ' ' LEU . 5.2 mp -105.92 106.13 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.6 146.56 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 29.3 p-10 -127.84 161.4 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 131.89 22.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 97.08 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.33 135.71 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 61.33 149.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.63 -178.67 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 12.7 p-10 -105.62 61.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.603 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -115.61 115.15 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB3' ' CG ' ' A' ' 25' ' ' TYR . . . -58.36 146.18 72.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 45.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.572 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . 8.1 m-85 -124.29 160.37 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -133.15 155.46 49.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.6 tm? -114.73 155.01 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 4.3 mp -140.79 139.8 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG22 ' CD1' ' A' ' 9' ' ' LEU . 49.1 t -134.46 107.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 17.6 pttp -95.89 140.12 31.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 HD12 ' CB ' ' A' ' 55' ' ' ASP . 7.1 mp -104.11 152.3 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -24.93 59.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.59 -8.3 46.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.62 19.77 28.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.4 t -91.4 169.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.17 119.77 0.9 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.33 168.55 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.61 140.44 40.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.658 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 89.5 m-85 -140.14 153.3 69.02 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.66 2.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -165.38 140.76 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.606 ' CD1' ' CG ' ' A' ' 49' ' ' ASN . 5.9 m-85 -110.64 143.98 40.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.395 1.059 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 1.595 ' HD1' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -64.99 113.1 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 139.84 -155.39 24.3 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.3 m120 -68.63 122.81 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 64' ' ' LEU . 3.6 m-20 -121.24 157.56 30.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 28' ' ' ASN . 23.3 mt -140.91 149.77 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -125.7 133.54 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 36' ' ' ILE . 1.4 t -98.54 134.24 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -113.94 119.48 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 90.37 -157.69 25.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -3.99 57.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' LEU . 3.5 p -45.97 -31.31 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' N ' HG13 ' A' ' 31' ' ' VAL . 2.1 tp -57.13 -35.11 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.12 -8.51 31.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 t -138.49 11.07 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.463 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 35' ' ' THR . 1.2 tm? -58.57 152.67 17.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' H ' ' CD2' ' A' ' 39' ' ' LEU . 4.0 mt-10 -129.39 148.43 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.647 ' HE1' ' CE2' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -114.76 157.01 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.24 164.05 29.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -84.43 -54.04 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.09 9.22 38.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -123.31 25.29 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 46' ' ' PHE . 18.8 p90 -56.61 124.4 62.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 162.24 37.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -78.29 -23.66 47.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.606 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 48.6 t30 177.67 136.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 29.8 mt -117.05 124.32 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.541 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -111.1 109.58 56.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 162.43 37.17 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.9 t -134.55 83.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.6 p -81.36 4.95 18.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.487 ' CB ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.56 16.47 18.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.598 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . 1.5 t -102.94 129.1 49.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -73.04 -9.2 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.75 -164.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.563 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 11.1 m-20 -134.23 163.9 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 147.9 -178.14 25.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 HD13 ' CB ' ' A' ' 35' ' ' THR . 1.9 mp -143.06 154.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 75.4 mt -139.64 167.54 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 1.635 ' HE1' ' CE2' ' A' ' 63' ' ' TYR . 20.8 m-85 -130.57 143.21 50.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 28' ' ' ASN . 3.5 tp -141.37 125.14 16.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 p -113.12 115.9 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -119.6 112.76 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.28 152.43 21.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -64.7 -11.76 39.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 14.23 6.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 67.8 43.07 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -111.91 104.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.13 138.88 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -147.81 146.92 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 74' ' ' PHE . 9.7 m-85 -127.11 162.71 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.42 ' CA ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -175.12 137.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -76.36 157.52 32.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -59.51 -14.82 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -3.94 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.68 27.34 38.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mm-40 -117.49 134.52 54.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -76.48 139.83 40.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.42 HD13 ' CA ' ' A' ' 75' ' ' SER . 3.1 mt -112.59 128.68 69.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.078 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.96 120.14 22.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.81 142.1 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -71.01 111.17 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.0 p -70.25 -5.82 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -96.09 -20.08 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.36 -23.7 8.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 43.54 43.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.61 145.66 23.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.997 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' CD1' ' A' ' 98' ' ' PHE . 25.6 p90 -139.31 175.27 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -134.35 144.47 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.37 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -168.39 147.93 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 55.54 21.94 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.3 6.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 1.7 mp -76.43 159.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.465 ' CB ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -124.76 143.97 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 15.8 m-85 -123.9 153.79 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -152.75 121.98 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.477 HD22 ' CD2' ' A' ' 9' ' ' LEU . 7.5 mt -109.31 118.55 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.73 146.62 52.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -81.39 117.54 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -120.01 132.46 55.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.232 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -154.14 91.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.84 97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -40.9 115.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -132.22 50.95 2.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' CD1' ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -113.81 116.6 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB3' ' CD2' ' A' ' 25' ' ' TYR . . . -57.09 153.18 25.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 43.46 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 1.619 ' HE2' ' CE1' ' A' ' 7' ' ' PHE . 11.3 m-85 -132.05 166.3 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.51 146.57 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.9 OUTLIER -92.42 149.4 21.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.7 136.77 41.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 96' ' ' ILE . 87.1 t -136.01 107.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.98 132.9 51.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' CD2' ' HB ' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -104.72 166.93 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.527 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -63.0 -19.42 64.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -70.7 9.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.65 22.13 73.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 18' ' ' GLY . 39.7 t -102.61 166.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -157.27 129.1 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.4 139.61 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -120.01 130.57 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 1.653 ' HD1' ' CD2' ' A' ' 21' ' ' PHE . 10.3 m-85 -128.41 156.52 76.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.95 168.79 24.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' CD2' ' CB ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -150.5 139.27 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.624 ' HD2' ' CD1' ' A' ' 24' ' ' TYR . 4.8 m-85 -111.2 143.9 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD2' ' HB3' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -62.3 113.71 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . 140.86 -153.78 23.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 65' ' ' THR . 4.5 m-80 -73.08 131.49 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 0.808 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -133.63 158.08 44.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 tt -140.14 152.89 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' ' CG2' ' A' ' 53' ' ' VAL . 5.9 mt -124.32 127.4 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.97 112.04 24.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -101.33 119.57 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.61 -162.76 16.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.0 ptp180 -82.95 -2.82 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.45 ' CB ' HD13 ' A' ' 61' ' ' ILE . 4.2 p -46.52 -31.9 3.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 tp -57.26 -39.17 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.93 -3.62 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.0 m -127.9 14.28 6.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 41.7 tp -89.0 162.92 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 6.1 mp0 -129.44 157.74 41.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 1.63 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 3.6 m-85 -125.15 162.77 23.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.3 -101.57 1.0 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -78.87 -7.43 57.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -104.83 10.79 34.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -82.64 46.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -55.26 -46.94 99.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -75.01 154.54 42.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.409 1.741 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.6 tt0 -81.12 -21.18 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -161.33 129.68 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.366 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.9 mt -111.3 146.32 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.545 HD13 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -141.77 110.8 6.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.519 ' O ' ' CD1' ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 158.57 42.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 30' ' ' ILE . 3.3 t -133.85 84.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.6 p -80.33 4.63 17.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.93 16.66 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.501 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . 2.8 t -127.13 150.34 49.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.96 -7.61 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.206 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.43 169.72 11.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.514 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -127.34 142.85 51.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 156.01 -160.51 30.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.574 1.171 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 2.3 mp -156.02 121.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.233 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 3.3 mt -96.11 163.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.48 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 53.6 m-85 -122.02 142.95 49.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -149.32 116.55 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 27' ' ' ASN . 34.4 m -120.87 132.32 54.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.449 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.462 ' CG1' HD12 ' A' ' 64' ' ' LEU . 3.6 mt -128.26 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -105.0 163.8 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -68.68 -19.89 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 37.0 m-20 -78.45 2.1 20.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.8 t30 77.8 42.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.5 mp -115.04 103.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.7 153.5 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -154.88 114.76 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.626 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 24.9 m-85 -93.7 157.68 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 3.3 t -165.34 154.96 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -101.36 158.91 15.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.4 -17.42 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -6.71 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 23.2 57.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 6.3 tt0 -117.91 131.58 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.1 pt20 -75.56 132.81 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' CG1' ' OD1' ' A' ' 76' ' ' ASP . 12.1 mt -97.74 113.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -67.1 120.57 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.559 HG23 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.78 138.53 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' ASN . 12.4 p30 -81.28 111.46 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.2 p -60.42 -25.82 66.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -23.08 66.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.36 -23.31 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ASN . 41.0 m-20 45.32 38.71 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 p -155.16 151.6 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 5.0 p90 -143.14 175.01 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -133.06 146.22 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 1.65 ' HD1' ' CD2' ' A' ' 93' ' ' TYR . 42.3 t80 -168.64 142.6 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.44 22.61 9.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.8 -27.56 7.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.469 ' CG2' HG11 ' A' ' 11' ' ' VAL . 10.3 mm -67.73 159.28 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -123.23 103.34 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.959 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 1.628 ' HD2' ' CD1' ' A' ' 98' ' ' PHE . 72.7 m-85 -84.7 157.0 21.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.416 ' NE2' ' CG ' ' A' ' 101' ' ' LYS . 14.8 t60 -160.45 119.41 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.13 104.89 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' CG ' ' NE2' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -85.76 146.3 26.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 21.7 p-10 -125.46 161.64 26.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.388 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtm -128.57 -43.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtm105 60.81 122.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.2 122.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -60.13 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.623 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.4 165.0 32.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.1 Cg_endo -75.0 50.56 2.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 22.4 m-85 -141.7 162.01 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.495 ' HD2' HD11 ' A' ' 10' ' ' LEU . 5.5 ptp180 -150.54 152.74 34.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -102.66 144.99 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD11 ' HD2' ' A' ' 8' ' ' ARG . 4.7 mp -136.12 114.88 12.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 55' ' ' ASP . 51.0 t -107.74 110.73 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.28 133.11 53.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' A' ' 55' ' ' ASP . 6.2 mp -101.12 153.57 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -73.2 -21.54 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -68.29 -7.08 27.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.74 23.75 9.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.98 163.21 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -167.11 128.65 1.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.7 167.47 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -137.21 132.65 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 51' ' ' ILE . 92.9 m-85 -118.28 156.29 50.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.39 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -132.2 132.53 43.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.0 m-85 -119.07 149.92 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.796 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -73.02 120.18 18.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.2 -153.67 23.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.51 107.5 15.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -98.0 157.66 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 50' ' ' ILE . 7.3 tt -139.52 152.71 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 62' ' ' ILE . 4.1 mt -129.08 145.65 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -115.11 138.63 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -129.55 115.84 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 103.69 -156.53 17.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -83.47 -3.16 57.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.608 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.611 ' HG2' HD11 ' A' ' 50' ' ' ILE . 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 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.31 -19.83 18.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -148.45 120.25 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.915 HG12 HD22 ' A' ' 29' ' ' LEU . 14.5 mt -111.66 112.76 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -107.92 109.42 62.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.555 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 164.02 34.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' VAL . 19.0 t -133.16 76.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.8 p -78.06 4.01 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.732 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -92.72 16.32 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 32' ' ' LEU . 46.2 p -120.87 145.54 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -6.95 47.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 176.14 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 2.0 m-20 -117.71 167.4 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.66 172.36 12.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ILE . 3.1 mp -140.71 138.39 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.675 HG22 HD12 ' A' ' 30' ' ' ILE . 10.9 mt -113.96 163.63 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.482 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 79.5 m-85 -130.49 141.61 50.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -149.04 125.88 11.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.0 m -123.77 135.62 53.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.912 ' CD1' HD11 ' A' ' 23' ' ' LEU . 28.0 pt -129.41 139.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -103.93 152.18 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.71 -15.98 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -81.94 4.55 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 71' ' ' ILE . 7.9 m-80 74.9 41.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -115.07 104.65 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.438 ' CB ' HG22 ' A' ' 66' ' ' ILE . 22.1 p -95.53 155.67 16.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -157.66 111.75 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.04 ' CE1' HD13 ' A' ' 84' ' ' ILE . 15.5 m-85 -92.78 159.65 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -173.94 137.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -82.26 159.9 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.25 -14.09 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -1.82 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.03 27.79 51.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 75' ' ' SER . 1.1 tt0 -118.25 137.21 53.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 11.3 pt20 -82.56 121.71 27.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 84' ' ' ILE . 4.1 mt -77.58 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -68.97 119.81 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.04 HD13 ' CE1' ' A' ' 74' ' ' PHE . 1.6 tt -152.6 161.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.432 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 42.3 m-20 -149.76 159.58 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -10.42 39.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -51.21 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.2 m-85 -117.86 -26.55 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 84' ' ' ILE . 41.5 t-20 34.35 41.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 p -140.14 162.17 35.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 74' ' ' PHE . 3.8 p90 -165.26 162.06 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -118.69 128.28 54.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -149.51 140.12 22.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.475 ' OD2' ' CD1' ' A' ' 32' ' ' LEU . 25.9 m-20 60.09 20.07 9.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.41 -26.21 12.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 97' ' ' SER . 2.3 mp -69.41 163.27 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -128.6 100.14 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.446 ' HD2' HG22 ' A' ' 11' ' ' VAL . 16.1 m-85 -91.21 149.49 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -155.86 121.37 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -96.25 106.57 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.898 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.73 165.06 49.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.95 51.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -142.78 174.76 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.91 145.39 7.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -94.85 146.16 24.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -136.93 118.99 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 96' ' ' ILE . 20.9 t -113.41 111.91 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.57 132.08 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 55' ' ' ASP . 2.0 mp -92.82 154.96 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -74.97 -19.86 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -68.96 -6.37 27.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.57 9.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.14 164.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -157.52 128.21 2.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.05 166.75 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 138.81 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 51' ' ' ILE . 96.4 m-85 -123.98 156.19 66.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.64 32.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.504 1.791 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.2 tm? -117.95 135.58 54.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.8 m-85 -118.75 154.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.898 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -83.32 117.19 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 132.92 -154.93 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -74.74 128.43 35.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' LEU . 97.1 m-20 -131.38 156.29 45.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 62' ' ' ILE . 9.5 tp -135.02 153.56 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.4 mp -128.59 139.31 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.651 HG13 ' CD1' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -106.18 147.67 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -132.27 123.86 27.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.2 -155.98 29.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.04 1.66 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 0.833 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 61' ' ' ILE . 3.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HG2' ' CG1' ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.19 -21.17 50.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -171.06 136.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 40.8 mt -113.77 148.66 16.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -136.88 111.3 9.45 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.58 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.811 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.3 t -133.1 62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -76.46 4.35 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.9 p30 -87.75 15.81 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.6 t -121.62 152.13 39.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -86.91 -9.13 56.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.52 168.91 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.567 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -122.27 153.79 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 157.81 -172.63 35.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.416 1.073 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.651 ' CD1' HG13 ' A' ' 31' ' ' VAL . 15.5 mm -137.1 166.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.6 mt -149.8 163.13 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 9.2 m-85 -126.71 146.35 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -147.26 112.72 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -112.85 113.76 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.429 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -114.14 141.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.537 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 6.0 t -96.48 170.55 9.14 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -81.77 -13.77 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -82.83 8.61 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER 81.46 46.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 11.0 mm -110.87 145.55 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -135.49 118.41 16.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.88 131.69 53.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.847 ' CG ' HG21 ' A' ' 84' ' ' ILE . 28.5 m-85 -106.31 154.89 20.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.512 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -161.89 166.44 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -104.66 154.88 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -64.84 -11.23 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -76.97 0.3 21.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.52 35.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CB ' ' OD1' ' A' ' 76' ' ' ASP . 13.8 mm-40 -117.5 162.53 17.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -94.9 153.5 17.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.092 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.512 HD12 ' C ' ' A' ' 75' ' ' SER . 58.3 mt -127.87 116.26 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -81.39 120.5 25.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.82 144.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.546 ' O ' HD12 ' A' ' 84' ' ' ILE . 3.1 m120 -74.05 131.5 41.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -21.12 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.29 -22.32 52.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.77 -24.01 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 81.7 m-20 39.62 44.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 155.21 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 6.9 p90 -146.21 174.52 11.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 6.0 tt0 -132.67 143.37 49.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 7.8 t80 -162.43 145.59 11.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 54.76 21.97 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.59 -28.11 7.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -70.51 161.58 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -117.41 142.6 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m-85 -124.53 152.61 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -156.42 122.76 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.124 HD11 HD23 ' A' ' 9' ' ' LEU . 2.0 mm? -102.99 108.73 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 tttt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.863 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.61 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -61.71 152.03 76.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 48.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.053 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.3 m-85 -133.99 165.65 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -153.59 149.97 28.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -93.0 151.32 19.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -135.21 136.67 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.354 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 53' ' ' VAL . 3.0 t -136.89 108.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.1 OUTLIER -109.42 135.58 50.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 55' ' ' ASP . 7.8 mp -98.96 155.21 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -69.52 -23.87 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -68.63 -6.82 28.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 24.89 10.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.06 162.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -161.39 150.31 19.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.513 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -150.9 163.35 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 mp0 -141.3 152.21 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 51' ' ' ILE . 12.0 m-85 -146.87 157.06 47.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.94 -170.6 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.053 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -174.3 140.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.863 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.3 m-85 -109.92 142.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -57.35 118.89 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.26 -155.73 23.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.9 m-80 -71.58 126.81 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.742 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -125.01 156.86 37.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 28' ' ' ASN . 24.5 mt -133.32 148.22 51.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 41.2 mt -126.25 104.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.825 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.88 152.73 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.077 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.25 121.81 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.23 -156.02 51.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.71 0.83 45.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.741 HG21 HG12 ' A' ' 61' ' ' ILE . 22.0 m . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.07 -0.396 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.3 tp10 -76.1 -24.38 55.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 24' ' ' TYR . 23.5 t30 178.21 131.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.77 HD11 ' HG2' ' A' ' 47' ' ' PRO . 14.2 mt -111.41 144.35 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -136.14 113.42 10.52 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.527 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.05 151.25 39.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 32' ' ' LEU . 32.0 t -122.45 69.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -78.14 4.23 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.821 ' O ' HD21 ' A' ' 13' ' ' LEU . 4.2 p30 -87.92 15.34 7.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -113.41 138.14 50.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -7.35 38.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 -176.0 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.921 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 29.1 p30 -126.66 174.08 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.81 -171.7 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.825 ' CD1' HG22 ' A' ' 31' ' ' VAL . 19.9 mm -141.57 151.04 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 0.8 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.3 mt -139.98 163.85 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 13.7 m-85 -128.63 142.32 51.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -148.96 117.89 6.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.1 m -118.09 136.2 53.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -132.76 115.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.14 155.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -61.9 -14.49 34.63 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 66.4 m-20 -84.05 1.6 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.2 t-20 79.66 35.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 36.1 mm -104.35 103.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.4 p -93.03 151.9 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.1 120.56 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.906 ' CD1' HG21 ' A' ' 84' ' ' ILE . 12.9 m-85 -101.71 155.08 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.463 ' HG ' ' C ' ' A' ' 80' ' ' GLU . 3.1 t -163.59 150.94 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -91.58 157.74 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.39 -14.76 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 -3.64 27.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.94 26.61 44.37 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.463 ' C ' ' HG ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -117.97 129.47 55.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.84 133.41 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.515 HD11 ' OD2' ' A' ' 76' ' ' ASP . 5.7 mt -100.53 131.79 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -84.32 120.29 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.906 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.28 142.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -78.59 104.39 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -58.42 -21.47 50.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.42 -24.41 62.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -116.09 -20.57 9.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 43.66 55.32 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -167.02 163.66 15.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.186 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 4.0 p90 -155.86 175.38 14.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -135.87 148.71 48.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.21 147.19 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 57.54 24.02 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.44 -30.51 5.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.33 163.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.498 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -123.01 108.99 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 96' ' ' ILE . 25.0 m-85 -92.89 158.81 15.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -160.28 132.33 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.543 HD11 HD23 ' A' ' 9' ' ' LEU . 3.1 mm? -109.36 105.63 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.595 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -62.27 166.01 7.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -75.01 48.73 2.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 23' ' ' LEU . 45.8 m-85 -147.43 157.67 43.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -144.83 147.22 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.882 HD23 HD11 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -95.34 148.45 22.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.65 146.73 38.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 ' CE2' ' A' ' 98' ' ' PHE . 4.7 t -138.88 118.02 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -118.01 134.68 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.9 mp -97.73 158.16 15.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -72.97 -22.27 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -6.64 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.28 25.95 9.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.79 160.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -158.22 142.08 8.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.93 165.24 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.83 147.17 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 51' ' ' ILE . 65.7 m-85 -137.04 156.08 75.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -74.99 150.41 38.13 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.056 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -128.22 128.83 45.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.056 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -111.66 143.27 42.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -63.13 129.77 41.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . 125.96 -155.66 19.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.926 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m-20 -77.01 129.75 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -131.3 156.16 45.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.981 HD12 ' HG3' ' A' ' 47' ' ' PRO . 95.6 mt -138.82 150.63 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.513 HD12 ' CG2' ' A' ' 62' ' ' ILE . 19.9 mt -118.27 120.97 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 52' ' ' PRO . 6.4 t -89.64 107.25 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -104.34 96.84 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 132.69 -176.78 19.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -82.31 1.6 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 61' ' ' ILE . 31.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.981 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -169.88 125.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -112.45 126.69 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.695 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -118.2 108.15 42.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.545 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 167.24 27.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.951 ' HB ' HD22 ' A' ' 32' ' ' LEU . 2.8 t -134.37 82.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -78.13 4.1 13.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.774 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -96.24 16.12 19.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.556 ' OG ' HD13 ' A' ' 32' ' ' LEU . 93.2 p -131.06 148.29 52.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.043 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -9.75 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -77.08 169.67 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.054 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -126.87 138.79 53.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 152.43 174.31 22.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.668 HD11 HG21 ' A' ' 35' ' ' THR . 3.8 mp -138.69 122.4 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.513 ' CG2' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -94.79 164.07 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.8 m-85 -114.92 142.15 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -150.14 104.48 3.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.926 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.5 m -115.29 131.24 56.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.988 HD11 HD11 ' A' ' 23' ' ' LEU . 1.7 pt -124.8 144.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.503 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -99.44 155.95 17.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -12.0 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.91 18.91 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 1.8 m120 67.19 48.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -114.22 151.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.773 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.2 p -135.43 145.46 47.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -150.48 113.67 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.836 ' CG ' HG21 ' A' ' 84' ' ' ILE . 6.0 m-85 -101.0 154.64 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -162.66 162.78 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.578 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.67 160.98 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 29.3 tt0 -56.6 -16.01 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.17 1.48 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.55 26.61 69.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 3.4 mt-10 -117.66 128.94 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.69 134.11 46.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.578 HD11 ' OD2' ' A' ' 76' ' ' ASP . 6.9 mt -100.42 124.75 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -75.09 120.48 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.836 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.1 134.79 55.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 1.065 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.698 ' O ' HD12 ' A' ' 84' ' ' ILE . 5.2 m120 -59.92 129.88 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -80.67 -26.49 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.3 -16.71 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' A' ' 85' ' ' ASN . 21.4 m-85 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 65.0 m-20 42.6 56.77 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.6 p -164.41 -177.5 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 98' ' ' PHE . 14.6 p90 -170.87 176.02 4.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 3.6 tt0 -139.67 134.54 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -157.37 147.27 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.1 20.94 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.95 -21.14 25.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.56 ' CG2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mt -73.46 164.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -128.31 97.19 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.725 ' CE2' HG13 ' A' ' 11' ' ' VAL . 59.9 m-85 -91.99 155.81 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CE1' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.66 142.91 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.562 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.882 HD11 HD23 ' A' ' 9' ' ' LEU . 3.9 mm? -114.07 105.05 12.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -60.87 152.22 70.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.94 42.23 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' H ' HD11 ' A' ' 23' ' ' LEU . 3.1 m-30 -114.46 -176.35 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -161.19 137.1 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD23 ' HG ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -106.74 141.3 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ASP . 5.4 mp -136.8 141.3 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 96' ' ' ILE . 76.5 t -135.58 107.84 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -100.0 131.26 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.783 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -104.65 164.59 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.35 -20.57 55.68 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 8.4 t-20 -68.92 7.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.75 19.48 71.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.783 ' HB ' HD21 ' A' ' 13' ' ' LEU . 45.0 t -103.68 169.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -154.71 131.3 3.11 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -113.84 134.11 54.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 27.8 tt0 -111.36 115.5 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.861 ' CG ' HD11 ' A' ' 51' ' ' ILE . 49.2 m-85 -108.09 157.56 35.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.01 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.063 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -161.72 146.32 13.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 4' ' ' LEU . 6.5 m-85 -120.88 143.52 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -62.83 113.29 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.69 -154.84 22.31 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.863 ' HA ' HG23 ' A' ' 65' ' ' THR . 3.5 m120 -72.27 133.81 45.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -132.24 157.21 44.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' HE1' ' A' ' 63' ' ' TYR . 9.8 tt -131.64 152.64 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 62' ' ' ILE . 15.1 mt -127.59 146.59 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -118.3 140.19 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.387 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD22 ' HB ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -130.29 108.98 10.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.02 -156.42 18.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -82.98 -1.95 53.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.928 ' HB ' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.0 tp10 -58.41 -37.78 76.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -174.3 142.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG12 HD22 ' A' ' 29' ' ' LEU . 3.2 mt -106.44 148.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.861 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -134.03 111.54 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.572 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.05 163.3 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.669 ' HB ' HD22 ' A' ' 32' ' ' LEU . 22.6 t -133.21 74.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.5 p -78.18 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.755 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.66 15.76 9.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 96' ' ' ILE . 86.7 p -121.11 150.68 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -95.91 -1.9 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.8 m -113.69 172.76 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.53 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 1.3 p30 -109.47 177.61 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 131.56 173.24 13.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.7 mp -136.69 149.72 26.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 30' ' ' ILE . 7.9 mt -129.45 164.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HE1' HD12 ' A' ' 29' ' ' LEU . 15.5 m-85 -125.39 143.91 50.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -149.25 120.45 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.863 HG23 ' HA ' ' A' ' 27' ' ' ASN . 91.8 m -125.59 136.26 53.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.647 HD12 HD23 ' A' ' 23' ' ' LEU . 1.8 mt -132.66 141.72 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -104.21 149.85 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -60.27 -15.55 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 44.0 m-20 -81.27 1.8 30.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.621 ' C ' HD12 ' A' ' 71' ' ' ILE . 15.0 t-20 79.2 40.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -114.91 104.47 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.37 153.39 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.262 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.47 118.74 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CD1' HG21 ' A' ' 84' ' ' ILE . 16.6 m-85 -93.85 161.96 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.41 165.34 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -109.02 153.72 23.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 3.0 tm-20 -62.57 -12.34 22.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -4.07 27.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.04 25.12 38.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -117.69 162.1 18.59 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.429 0.723 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -90.12 154.61 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.362 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.8 mt -125.31 121.73 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.41 120.52 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.07 143.87 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ASN . 17.6 m-20 -76.72 126.52 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 t -77.73 -21.06 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.01 -19.36 51.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -116.34 -24.37 7.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ASN . 79.0 m-20 44.31 38.58 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.86 151.47 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.5 p90 -142.8 176.33 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -131.09 146.79 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -165.44 139.84 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.57 21.08 8.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.26 -28.9 8.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.628 HG21 HG13 ' A' ' 11' ' ' VAL . 1.6 mp -66.56 162.38 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -124.4 104.94 9.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.902 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 50.9 m-85 -83.84 159.29 21.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -160.41 116.18 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.565 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' HD23 ' A' ' 9' ' ' LEU . 7.0 mp -110.3 117.68 34.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.81 163.49 64.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.92 53.08 3.19 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' LEU . 41.8 m-85 -142.22 173.17 11.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -160.88 141.93 11.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -91.75 147.04 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 99' ' ' HIS . 4.5 mp -135.93 114.59 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.604 ' CG1' HG21 ' A' ' 96' ' ' ILE . 38.1 t -103.44 107.72 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.56 132.69 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.842 HD21 ' CB ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -99.06 162.93 12.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.437 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -73.77 -22.38 59.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -5.48 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.09 25.81 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -95.79 160.55 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.18 103.95 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.78 164.82 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.46 134.02 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.892 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.4 m-85 -121.96 158.05 55.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 139.08 24.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.591 1.837 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -111.71 134.59 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.786 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.1 m-85 -118.2 155.31 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.827 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -82.74 120.76 26.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.07 -154.78 18.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.654 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -72.16 131.21 42.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 m-20 -125.57 157.77 36.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 30' ' ' ILE . 8.6 tt -131.24 152.45 50.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.3 mp -132.04 144.23 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.848 ' HA ' HD13 ' A' ' 61' ' ' ILE . 1.1 t -114.01 148.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.905 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.21 124.69 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 71.11 -155.44 52.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.29 1.62 40.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.688 HG21 HG12 ' A' ' 61' ' ' ILE . 19.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.44 -24.87 63.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.602 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 8.5 t30 -174.99 140.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.66 HG23 HD22 ' A' ' 29' ' ' LEU . 3.0 mt -112.42 147.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.892 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -138.24 108.92 8.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 161.09 39.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.413 1.744 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.905 ' HB ' HD22 ' A' ' 32' ' ' LEU . 76.2 t -134.49 64.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 p -75.47 3.6 8.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.842 ' CB ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.58 16.48 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' HD11 ' A' ' 96' ' ' ILE . 32.0 t -107.41 149.58 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -82.51 3.76 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -136.27 168.81 18.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.9 164.73 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 154.61 -168.83 32.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.415 1.072 . . . . 0.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.848 HD13 ' HA ' ' A' ' 31' ' ' VAL . 17.6 mm -143.78 149.33 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.952 HG22 HD13 ' A' ' 30' ' ' ILE . 12.1 mt -134.53 162.48 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 37.8 m-85 -130.52 144.09 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.963 ' HB3' HD11 ' A' ' 30' ' ' ILE . 1.4 tp -150.07 130.33 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 27' ' ' ASN . 96.9 m -127.93 138.57 52.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -131.74 144.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.4 m -103.16 152.48 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.1 mttt -64.41 -12.19 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.1 m-20 -80.94 5.51 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.2 t-20 80.55 41.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -110.26 148.66 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.14 145.52 47.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 137.38 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CG ' HG21 ' A' ' 84' ' ' ILE . 21.9 m-85 -110.7 163.95 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.446 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.5 p -166.67 158.77 13.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 153.54 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.57 32.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -4.16 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.74 28.06 30.3 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.27 161.18 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.1 129.51 51.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' C ' ' A' ' 75' ' ' SER . 6.3 mt -101.89 113.48 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -72.25 123.41 22.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.583 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -125.85 146.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -75.09 118.37 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 m -71.13 -18.27 62.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -75.29 -22.55 57.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -24.32 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 6.7 t-20 39.98 59.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.93 158.28 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.062 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -170.79 178.02 3.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -137.64 153.07 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -167.52 143.22 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.99 26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.03 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.747 HG23 HD12 ' A' ' 13' ' ' LEU . 5.7 mm -68.67 153.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -124.61 94.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 74.7 m-85 -76.23 158.09 31.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' HD13 ' A' ' 10' ' ' LEU . 17.1 t60 -159.23 119.0 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 3.0 mm? -100.98 105.15 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.831 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -68.14 164.4 42.57 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -75.1 52.7 3.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -138.9 168.32 20.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -152.88 137.14 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -94.66 148.69 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.972 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -138.09 137.67 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.67 HG11 ' OD1' ' A' ' 55' ' ' ASP . 91.0 t -129.65 114.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 13.1 ptpt -111.69 130.35 55.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.946 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.7 mp -98.11 158.71 15.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 14' ' ' THR . 1.4 p -70.03 -22.41 63.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' HB3' HG23 ' A' ' 17' ' ' VAL . 1.6 t-20 -68.77 -5.59 21.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.71 25.11 16.02 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.5 t -102.28 154.76 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -152.38 112.27 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.972 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.1 m-20 -108.46 168.25 9.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.07 135.97 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.911 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.6 m-85 -124.31 154.14 68.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.67 28.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -110.98 134.64 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.785 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-85 -118.57 154.32 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.831 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -82.61 114.27 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 66' ' ' ILE . . . 133.65 -155.38 21.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.73 ' HA ' HG23 ' A' ' 65' ' ' THR . 6.7 m-80 -69.44 116.12 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 66' ' ' ILE . 13.7 m-20 -122.55 115.14 21.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.99 150.51 20.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 HG23 ' A' ' 51' ' ' ILE . 10.3 mt -125.61 108.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.26 152.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -133.21 126.9 32.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 62.85 -151.53 47.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -83.3 1.08 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 110.254 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.582 HG21 HG12 ' A' ' 61' ' ' ILE . 33.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.375 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.722 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -80.6 -21.83 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.604 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER 176.36 133.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.722 HD11 ' HG2' ' A' ' 47' ' ' PRO . 7.7 mt -115.27 131.71 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.911 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -123.47 111.36 29.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.59 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 152.44 40.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' VAL . 13.3 t -129.79 63.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -76.6 4.42 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.946 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -84.91 12.32 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -110.74 139.3 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.12 -13.02 31.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.5 m -117.03 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -128.81 175.82 8.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.72 -166.28 28.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.7 mm -141.16 159.61 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 0.71 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 30' ' ' ILE . 6.2 mt -148.36 159.13 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 6.9 m-85 -119.01 141.45 48.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.88 94.22 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.73 HG23 ' HA ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -99.86 123.83 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -120.98 142.9 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.087 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 66' ' ' ILE . 44.7 t -103.64 163.02 12.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 4.1 ttpt -71.36 -13.72 61.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.5 m-20 -82.3 2.43 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.9 t30 79.24 39.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.252 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 24.6 mm -114.87 104.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.29 140.62 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.02 119.9 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.791 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.5 m-85 -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -162.34 169.17 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.67 154.03 22.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -64.7 -11.05 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -1.85 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.07 28.9 29.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.41 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.71 162.51 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.87 145.86 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 75' ' ' SER . 73.7 mt -117.33 117.81 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 120.78 26.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.791 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -118.24 142.55 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 84' ' ' ILE . 68.1 m-80 -69.67 124.16 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -15.77 58.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -18.04 34.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.84 -25.02 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 78.6 m-20 41.71 54.64 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.2 m -157.83 165.58 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 3.7 p90 -161.63 168.76 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 8.6 tt0 -129.72 138.09 50.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.16 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 1.3 t80 -157.87 141.11 15.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 59.56 22.26 10.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.4 -28.37 7.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.9 mp -66.11 163.39 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.497 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -125.73 117.74 24.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.754 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 51.3 m-85 -94.82 155.98 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 19.2 t60 -159.56 110.12 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 9' ' ' LEU . 9.9 mp -106.12 103.23 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 13.6 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -65.02 165.32 16.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.91 51.91 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 23' ' ' LEU . 39.6 m-85 -141.16 173.59 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.33 138.82 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.99 148.69 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.614 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -140.95 144.4 35.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 96' ' ' ILE . 53.0 t -140.24 116.0 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -109.71 142.97 40.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -104.42 156.26 18.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -56.93 -26.14 58.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.13 -7.64 37.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.82 20.81 30.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.1 t -84.92 170.44 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -163.38 129.77 2.09 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.557 1.16 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.2 129.43 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 109.253 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.25 119.38 39.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CD2' HD11 ' A' ' 51' ' ' ILE . 73.3 m-85 -106.2 160.04 27.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.98 143.87 29.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -118.61 133.72 55.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.802 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.92 148.13 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.913 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -76.48 122.95 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -154.85 20.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -69.87 117.9 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 0.804 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -114.76 156.77 24.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.068 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 30' ' ' ILE . 2.3 tm? -132.12 150.52 52.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.997 ' N ' HD13 ' A' ' 29' ' ' LEU . 10.2 mt -133.72 112.85 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.69 ' HA ' HD13 ' A' ' 61' ' ' ILE . 43.8 t -91.51 144.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.762 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -125.93 116.88 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 94.13 -164.34 25.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.596 1.185 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 1.2 42.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.4 ' CG ' ' HB2' ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.955 -0.441 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -57.14 -21.31 31.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 9.2 t30 -169.82 130.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.632 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.9 tt -116.85 140.45 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.646 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -139.2 106.99 7.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.525 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -133.88 67.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.0 p -76.31 4.84 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.448 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.851 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.1 p30 -85.85 15.48 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 p -117.29 162.22 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 -2.81 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -122.61 173.62 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -108.61 177.75 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 148.49 175.22 20.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 31' ' ' VAL . 19.0 mm -142.91 155.33 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -149.18 157.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CD2' HD23 ' A' ' 29' ' ' LEU . 40.3 m-85 -124.11 144.95 49.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.1 tp -149.92 120.69 7.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.838 HG23 ' HA ' ' A' ' 27' ' ' ASN . 85.5 m -123.6 135.18 53.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 72' ' ' CYS . 4.7 pt -131.33 144.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 23.0 t -98.67 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -75.54 -13.27 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 8.5 m-20 -79.56 5.68 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.0 m120 79.78 42.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.1 mp -113.78 147.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.835 ' HA ' HG22 ' A' ' 66' ' ' ILE . 26.6 p -135.17 150.0 50.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -155.49 120.54 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.776 ' CG ' HG21 ' A' ' 84' ' ' ILE . 15.4 m-85 -94.34 162.31 13.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.591 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -161.3 166.31 27.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -106.36 157.76 17.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HB ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.47 -8.76 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 11.48 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.39 32.41 65.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.6 161.91 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -94.93 146.9 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.591 HD12 ' C ' ' A' ' 75' ' ' SER . 48.5 mt -122.62 130.79 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.385 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -97.35 120.27 37.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.776 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -108.71 141.79 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.196 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ASN . 97.7 m-20 -66.03 133.91 51.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -81.18 -34.69 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -16.32 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.9 -24.79 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASN . 14.7 m120 38.89 46.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -158.9 169.67 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.3 p90 -157.26 175.89 13.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 9.1 tt0 -135.82 143.48 45.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -166.44 147.8 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.92 21.21 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.78 -26.92 7.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.648 HG21 HG13 ' A' ' 11' ' ' VAL . 1.4 mp -71.34 161.81 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 0.804 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -119.95 107.7 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 11' ' ' VAL . 45.2 m-85 -93.11 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p-80 -156.62 134.63 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 6.8 mp -115.51 113.49 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.726 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.737 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -59.81 148.14 76.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -75.0 49.24 2.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.06 ' CB ' HD21 ' A' ' 23' ' ' LEU . 30.4 m-85 -134.33 165.82 24.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.73 146.82 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.643 HD21 ' CG2' ' A' ' 11' ' ' VAL . 9.1 tt -94.8 156.47 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.62 136.55 36.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.643 ' CG2' HD21 ' A' ' 9' ' ' LEU . 41.9 t -132.59 110.34 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -101.93 144.28 30.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 55' ' ' ASP . 5.8 mp -103.01 152.98 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.83 -24.6 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -9.06 46.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 22.04 16.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.97 163.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -150.97 141.99 9.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.852 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -137.2 167.94 20.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.86 151.86 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 51' ' ' ILE . 80.4 m-85 -145.68 154.36 51.95 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.88 2.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.06 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -171.4 137.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 7.3 m-85 -106.64 142.97 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -58.57 114.07 2.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.14 -154.1 22.67 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.568 1.168 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.597 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m120 -72.28 132.67 44.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.71 157.67 39.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.67 HD23 HG23 ' A' ' 50' ' ' ILE . 5.7 tt -135.02 152.69 51.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.791 HD12 HG22 ' A' ' 62' ' ' ILE . 4.7 mt -128.02 146.95 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG12 ' OG1' ' A' ' 35' ' ' THR . 0.1 OUTLIER -117.23 147.18 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 60' ' ' GLY . 4.3 tp -132.95 134.74 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 80.36 -148.99 30.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -7.47 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 61' ' ' ILE . 68.8 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.53 ' HG2' ' CG1' ' A' ' 50' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.183 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.8 p-10 -178.67 143.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.67 HG23 HD23 ' A' ' 29' ' ' LEU . 8.9 mt -113.49 148.16 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.63 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -136.82 110.3 9.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.599 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.08 159.35 41.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 55' ' ' ASP . 59.4 t -135.59 71.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 p -79.09 5.08 12.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.742 ' HB2' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -81.37 6.68 13.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.414 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.4 m -108.33 154.52 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -89.36 -13.32 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.461 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.25 -171.9 2.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -135.22 153.3 51.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HD23 ' A' ' 32' ' ' LEU . . . 164.08 -160.62 33.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.1 mp -152.29 156.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.791 HG22 HD12 ' A' ' 30' ' ' ILE . 8.0 mt -137.78 164.31 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 24.3 m-85 -126.1 141.48 51.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.899 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -150.06 122.63 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.899 ' N ' HD12 ' A' ' 64' ' ' LEU . 24.3 m -125.81 139.3 53.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 23' ' ' LEU . 1.2 pt -134.03 143.65 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -104.54 153.79 20.73 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 3.6 tttp -66.05 -11.01 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 4.8 m-20 -82.79 5.95 19.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 21.0 t-20 81.02 37.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 66' ' ' ILE . 17.7 mm -104.9 147.65 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.619 ' HA ' HG22 ' A' ' 66' ' ' ILE . 22.6 p -135.56 146.83 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.42 136.24 12.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.785 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 7.2 m-85 -120.13 164.68 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.564 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 14.7 m -169.09 152.73 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.43 156.03 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.74 -19.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -67.6 -6.26 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.47 24.57 58.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -117.83 126.09 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.564 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 3.6 pt20 -66.75 131.47 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' ILE . 9.5 mt -86.21 141.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -70.92 120.66 16.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -153.09 151.07 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.8 m120 -148.27 167.62 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.5 p -68.96 -11.02 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -51.5 67.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -118.54 -26.25 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.521 ' OD1' HD11 ' A' ' 84' ' ' ILE . 5.6 t30 34.17 44.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 t -148.04 173.71 12.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 36.7 p90 -174.35 176.52 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.67 144.35 37.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.27 146.83 6.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' CB ' ' A' ' 58' ' ' SER . 0.4 OUTLIER 62.2 26.19 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.13 -10.18 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.588 HG21 ' CG1' ' A' ' 11' ' ' VAL . 4.8 mm -88.9 157.82 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -120.2 95.43 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.028 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 78.5 m-85 -77.55 156.66 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 1.3 t60 -159.92 126.84 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -102.8 123.44 46.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 2.9 ttpt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.866 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.86 166.11 26.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.75 3.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.9 m-85 -145.67 175.67 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.95 142.65 10.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -93.0 146.92 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.614 1.196 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -130.59 138.21 50.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 96' ' ' ILE . 34.4 t -136.65 119.62 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.371 1.044 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -123.16 139.82 53.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.8 mp -98.48 154.25 18.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -75.47 -19.67 59.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -68.5 -5.94 22.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.04 24.14 10.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.377 1.048 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.31 164.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -155.24 141.74 8.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.811 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -150.65 168.18 25.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.69 159.62 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 1.011 ' CE2' HD11 ' A' ' 51' ' ' ILE . 92.3 m-85 -142.52 153.75 62.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -74.94 144.65 30.72 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -112.34 136.02 52.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.761 ' N ' HD13 ' A' ' 23' ' ' LEU . 18.7 m-85 -118.38 156.85 28.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.866 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -84.37 120.45 26.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 66' ' ' ILE . . . 129.11 -155.32 20.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 64.2 m-80 -77.47 132.6 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.89 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-20 -135.02 157.22 47.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 28' ' ' ASN . 14.2 mt -128.07 148.53 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 64' ' ' LEU . 65.4 mt -123.71 104.93 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.941 HG22 HD11 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.43 144.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.836 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -131.99 107.73 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 101.48 -165.66 18.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.576 1.173 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.09 -0.24 51.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 61' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.67 -28.51 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.29 143.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HG2' ' A' ' 47' ' ' PRO . 2.5 mp -111.58 113.93 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.18 111.16 53.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.551 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -74.98 156.57 43.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.836 ' HB ' HD22 ' A' ' 32' ' ' LEU . 15.2 t -133.1 62.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 p -75.03 4.38 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.786 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.3 p30 -82.55 9.89 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -112.37 163.52 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 -5.87 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.06 154.29 27.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -99.09 176.74 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 133.34 169.8 12.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.941 HD11 HG22 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -126.57 160.99 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.425 0.721 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 23.8 mt -142.65 163.53 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 10.2 m-85 -122.41 143.64 49.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.83 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -150.39 114.92 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.801 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.5 m -120.76 140.78 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG23 ' H ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -134.39 143.79 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -104.53 150.45 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -63.6 -12.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -84.34 2.97 37.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.7 t-20 80.23 39.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 19.6 mm -111.27 104.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.44 149.6 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 108.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.65 131.76 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.722 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 5.9 m-85 -112.94 165.19 12.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.48 ' N ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -166.26 146.25 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -98.86 154.41 18.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 61' ' ' ILE . 1.6 tt0 -54.98 -17.35 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -8.16 28.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.02 24.91 42.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.424 1.077 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.0 tt0 -117.93 157.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.361 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -97.83 114.69 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 110.252 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 75' ' ' SER . 3.4 mt -67.76 140.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.03 121.47 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -152.29 146.59 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.5 OUTLIER -150.42 -171.59 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -80.61 -15.98 55.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -51.33 67.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 89' ' ' ASN . 50.0 m-85 -118.72 -25.67 6.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 88' ' ' PHE . 6.4 t-20 35.36 43.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.226 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 36.0 p -157.13 -177.53 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 20.2 p90 -176.87 176.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 136.2 23.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -155.9 147.8 23.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 32' ' ' LEU . 12.2 m-20 60.92 24.41 14.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.06 -26.82 9.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.514 ' CG2' HG13 ' A' ' 11' ' ' VAL . 4.6 mm -66.37 163.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.475 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -128.51 93.14 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.733 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 38.9 m-85 -79.19 153.82 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 7.4 t60 -159.2 116.67 2.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.674 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 9' ' ' LEU . 1.5 mm? -101.79 116.12 32.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.374 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.05 165.0 47.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.0 Cg_endo -75.11 52.96 3.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -145.59 175.24 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -158.25 147.09 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.94 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -99.75 147.1 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.04 141.97 42.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.706 HG11 HG13 ' A' ' 53' ' ' VAL . 60.6 t -136.93 110.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 9.7 ptmt -103.62 131.73 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -103.89 164.95 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.85 -19.71 52.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 3.6 m120 -69.5 7.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.07 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 68.1 20.0 72.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.723 ' HB ' HD21 ' A' ' 13' ' ' LEU . 58.8 t -103.85 169.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -153.35 135.55 4.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -117.82 123.48 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.14 115.03 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 51' ' ' ILE . 95.9 m-85 -103.39 156.59 35.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.18 20.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -106.61 133.41 51.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.742 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.69 156.19 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.859 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -85.03 117.54 24.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.517 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 133.65 -154.58 21.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.45 129.2 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' LEU . 80.6 m-20 -134.78 156.66 48.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.039 HD23 ' N ' ' A' ' 30' ' ' ILE . 6.6 tt -129.89 152.12 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.039 ' N ' HD23 ' A' ' 29' ' ' LEU . 9.6 mt -124.19 104.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 52' ' ' PRO . 1.2 t -72.96 150.05 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -131.86 116.81 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.52 -162.29 34.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -84.86 2.44 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.877 HG21 HD11 ' A' ' 61' ' ' ILE . 99.5 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.048 -0.405 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -21.43 66.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.558 ' CG ' ' CG ' ' A' ' 24' ' ' TYR . 6.0 m120 -168.78 125.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 29' ' ' LEU . 2.9 tt -110.21 145.25 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.915 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -133.94 111.4 12.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.629 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 146.08 32.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.595 1.839 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.706 HG13 HG11 ' A' ' 11' ' ' VAL . 23.8 t -117.92 68.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 p -77.12 4.09 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -87.41 15.43 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.616 ' HA ' HD11 ' A' ' 96' ' ' ILE . 94.6 p -116.55 157.16 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 6.66 48.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.63 157.3 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -102.13 158.9 15.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 157.23 -167.14 33.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 35' ' ' THR . 1.8 mp -150.94 162.81 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 3.4 mt -150.03 162.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 12.7 m-85 -118.33 146.61 44.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' ASN . 2.9 tp -146.51 107.27 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 117.89 35.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -117.95 138.31 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -105.14 151.78 23.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.7 mtpt -61.62 -17.3 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 43.6 m-20 -80.8 2.64 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CE1' ' A' ' 7' ' ' PHE . 4.5 t-20 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.4 mp -108.69 107.12 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.76 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -144.14 110.0 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.2 m-85 -92.75 155.48 17.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -158.68 166.03 32.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 160.13 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -9.29 24.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -83.53 9.57 11.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.15 31.01 64.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.1 mt-10 -117.48 158.98 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -93.98 137.6 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 75' ' ' SER . 31.4 mt -104.66 130.92 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -86.33 120.5 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -120.0 136.04 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.582 1.177 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.534 ' O ' HD12 ' A' ' 84' ' ' ILE . 13.4 m120 -64.6 121.83 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -14.57 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.058 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.09 -17.37 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -22.21 9.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 43.14 47.34 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 p -155.96 164.15 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.0 p90 -154.59 175.2 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -135.52 147.41 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.04 144.38 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 56.28 23.38 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.37 -29.01 6.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.4 mp -65.62 163.1 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -127.66 113.71 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 53.7 m-85 -96.1 155.22 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.71 124.21 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.508 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.94 HD11 HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.944 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -73.64 164.91 57.61 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.598 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.3 Cg_endo -74.98 48.99 2.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 24.0 m-85 -147.98 157.43 43.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -138.56 157.12 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -104.17 148.09 26.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -141.4 121.06 13.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' CG1' HG21 ' A' ' 96' ' ' ILE . 18.5 t -118.99 108.83 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.9 OUTLIER -107.51 138.84 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.74 HD12 HG23 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -97.07 156.84 16.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 95' ' ' GLY . 2.2 p -73.25 -20.24 60.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.0 -3.44 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.02 24.92 15.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -103.02 157.86 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -145.22 143.38 11.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.075 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -143.52 156.36 44.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.33 135.52 35.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.699 ' CG ' HD11 ' A' ' 51' ' ' ILE . 92.2 m-85 -129.16 154.97 80.57 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.99 143.12 28.72 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.063 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -116.55 128.91 55.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.063 ' N ' HD12 ' A' ' 23' ' ' LEU . 6.5 m-85 -113.6 143.59 44.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.944 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -66.63 125.4 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.11 -155.49 21.04 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.14 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.896 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.19 110.09 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' C ' HD23 ' A' ' 29' ' ' LEU . 25.8 m120 -118.17 115.52 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.5 mt -98.97 144.16 28.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.653 HG23 HG23 ' A' ' 51' ' ' ILE . 3.1 mm -109.53 108.39 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.606 HG12 ' HA ' ' A' ' 52' ' ' PRO . 1.1 t -72.07 146.21 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -131.91 125.4 31.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.83 -156.08 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -83.95 1.07 45.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.454 HG21 HD12 ' A' ' 61' ' ' ILE . 1.2 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.623 ' CG ' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -22.04 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 174.97 135.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' CG ' ' A' ' 47' ' ' PRO . 41.7 mt -116.12 122.21 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.699 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -107.55 121.4 44.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.0 148.87 35.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 79.8 t -134.77 59.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 p -76.76 4.61 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.646 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -71.2 -3.89 22.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -104.51 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 5.56 50.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.2 m -120.48 148.81 43.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -102.65 156.31 17.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 156.41 -160.81 30.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -151.82 158.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 1.4 mt -139.23 160.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 77' ' ' GLU . 15.7 m-30 -115.02 138.41 50.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.816 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.59 96.2 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.896 HG23 ' HA ' ' A' ' 27' ' ' ASN . 4.8 m -109.9 126.95 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 72' ' ' CYS . 23.4 pt -127.13 142.32 43.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.613 1.196 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.494 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 28.5 t -97.23 163.49 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -13.21 61.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -82.29 7.47 13.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.525 ' C ' HD12 ' A' ' 71' ' ' ILE . 3.6 m120 74.11 41.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.53 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.6 mp -115.18 103.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.77 ' HA ' HG22 ' A' ' 66' ' ' ILE . 23.3 p -93.13 142.52 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.59 110.43 5.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.834 ' CG ' HG21 ' A' ' 84' ' ' ILE . 24.1 m-85 -91.51 156.33 17.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.57 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 3.8 m -168.5 161.44 11.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.064 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -102.39 155.96 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -56.39 -16.43 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -7.67 35.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.42 24.04 41.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 8.5 tt0 -117.45 135.73 53.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 0.779 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 1.2 pm0 -79.08 141.73 37.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.408 HD11 ' OD2' ' A' ' 76' ' ' ASP . 7.7 mt -111.44 144.34 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -95.84 120.42 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.834 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -109.65 134.83 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.663 ' O ' HD12 ' A' ' 84' ' ' ILE . 15.0 t-20 -55.67 131.58 46.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.69 -33.4 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -14.94 59.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.425 ' CB ' ' HB3' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -115.33 -24.56 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 9.5 m120 40.45 50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.7 p -159.77 169.36 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.8 p90 -158.72 175.8 13.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -162.33 145.67 11.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 60.75 20.54 10.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 14' ' ' THR . . . 91.8 -22.13 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.74 HG23 HD12 ' A' ' 13' ' ' LEU . 18.5 mm -71.03 161.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -125.54 92.97 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 64.9 m-85 -80.89 154.0 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -159.4 125.5 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.678 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 23' ' ' LEU . 2.2 mm? -100.49 105.62 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 tttm . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.266 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.691 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -55.22 144.21 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 44.19 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.005 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.9 m-85 -134.99 161.43 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' PRO . 5.2 tpt180 -137.17 145.01 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.073 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.02 146.35 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -129.25 141.19 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 96' ' ' ILE . 66.9 t -140.23 116.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HG2' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -112.96 144.22 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.2 mp -103.8 155.07 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.04 -26.24 59.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.448 ' HB3' HG23 ' A' ' 17' ' ' VAL . 10.8 t30 -68.34 -8.95 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.53 19.87 28.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.575 1.172 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.0 t -86.34 169.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.58 0.812 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -159.17 141.23 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -138.7 166.63 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.739 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 1.5 pm0 -143.05 145.62 33.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.554 ' CD2' HG12 ' A' ' 51' ' ' ILE . 10.2 m-85 -143.54 154.21 59.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 158.05 42.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 7' ' ' PHE . 3.2 pp -144.28 128.44 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.691 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 8.5 m-85 -96.26 143.5 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD2' ' HG3' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.45 117.21 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.66 -154.41 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.571 1.17 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.756 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.53 109.49 16.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -103.58 156.97 17.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' A' ' 63' ' ' TYR . 8.1 tt -134.36 153.89 51.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 51' ' ' ILE . 9.5 mt -126.36 146.56 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -110.45 146.8 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.14 124.53 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 91.73 -154.83 22.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.81 -4.84 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 61' ' ' ILE . 2.3 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.21 -19.76 19.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -145.28 115.77 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 47' ' ' PRO . 5.1 mt -108.88 120.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -118.22 109.93 40.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.561 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 159.94 40.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.656 ' HB ' HD22 ' A' ' 32' ' ' LEU . 91.4 t -133.89 70.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 p -77.54 4.54 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.888 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -85.08 11.38 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.598 ' OG ' HG12 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -116.75 152.83 33.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -91.46 -8.44 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 3.2 m -100.08 166.75 10.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -118.94 146.42 44.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.47 -167.65 36.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.4 1.062 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 35' ' ' THR . 1.2 mp -148.41 157.78 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 4.9 mt -137.84 164.26 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 29' ' ' LEU . 30.1 m-85 -122.97 144.22 49.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.68 103.14 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.756 HG23 ' HA ' ' A' ' 27' ' ' ASN . 48.5 m -108.26 133.34 52.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.42 144.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.422 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 17.8 t -103.02 166.43 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 11.1 tttm -77.02 -13.3 59.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.3 m-20 -80.74 5.67 15.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.3 t-20 80.26 44.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -114.54 147.01 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.665 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.8 p -136.05 149.47 48.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -158.16 116.47 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.964 ' CD1' HG21 ' A' ' 84' ' ' ILE . 62.7 m-85 -93.13 158.94 15.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -160.27 165.89 30.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.928 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -107.47 155.36 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -57.07 -16.21 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.23 -5.22 30.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.47 25.99 40.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.0 tt0 -117.12 160.9 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.41 135.53 36.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.401 ' CD1' ' C ' ' A' ' 75' ' ' SER . 8.0 mt -104.51 123.28 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.4 120.61 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.964 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -114.81 143.82 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.675 ' O ' HD12 ' A' ' 84' ' ' ILE . 7.6 m-80 -72.57 133.13 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -20.44 40.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -85.92 -17.33 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.3 m-85 -115.36 -23.04 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 79.2 m-20 40.07 43.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 p -154.73 163.81 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.003 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.615 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.6 p90 -156.61 174.25 15.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.23 143.78 50.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 54.0 t80 -168.55 137.93 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-20 58.21 22.46 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.7 -29.41 7.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.804 ' CG2' HG13 ' A' ' 11' ' ' VAL . 6.0 mm -69.1 160.12 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' HG2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -126.85 93.71 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.615 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 90.9 m-85 -71.32 158.09 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 101' ' ' LYS . 21.6 t60 -160.58 111.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.568 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.073 HD11 HD23 ' A' ' 9' ' ' LEU . 2.5 mm? -94.98 116.27 28.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . 9.3 tttm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.796 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.742 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -76.99 169.18 22.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.22 2.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CE2' HD13 ' A' ' 66' ' ' ILE . 19.3 m-85 -107.23 173.11 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -169.79 114.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.032 HD21 ' HB2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.31 131.1 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 9' ' ' LEU . 26.6 mt -123.49 129.08 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.194 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.678 HG11 HG13 ' A' ' 53' ' ' VAL . 41.8 t -124.07 121.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 1.5 ptmt -109.64 145.45 36.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -103.57 158.22 16.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.95 -26.51 62.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.351 1.032 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -8.98 47.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.63 22.3 24.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.8 t -86.75 170.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 0.814 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.491 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -157.59 121.55 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -110.78 165.86 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.38 146.15 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 51' ' ' ILE . 68.5 m-85 -146.88 152.08 43.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.032 ' HB2' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -170.74 126.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.018 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.6 m-85 -107.01 142.38 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.742 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -59.47 117.01 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.83 -153.67 22.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.684 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.4 m120 -79.31 141.55 36.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -143.66 158.69 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 63' ' ' TYR . 17.8 mt -142.1 146.56 35.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 51' ' ' ILE . 12.5 mt -114.17 145.53 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -104.71 147.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.758 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -133.0 123.36 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.604 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.57 -155.23 51.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -83.24 1.86 38.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.689 HG21 HG12 ' A' ' 61' ' ' ILE . 87.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.4 tp10 -69.39 -21.37 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' HB3' HD21 ' A' ' 28' ' ' ASN . 56.1 t30 -172.44 135.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.572 HD12 ' CG ' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -117.59 146.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -142.28 110.32 5.89 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.593 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.3 36.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.761 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' HD22 ' A' ' 32' ' ' LEU . 57.7 t -134.79 49.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.16 3.99 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.918 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -67.73 -6.78 22.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 t -92.8 176.04 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -97.68 -3.11 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.38 169.41 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 4.2 m-20 -115.54 176.88 4.88 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 143.41 -177.15 22.43 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.689 HG12 HG21 ' A' ' 35' ' ' THR . 16.1 mm -143.0 128.76 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CG2' HD12 ' A' ' 30' ' ' ILE . 8.4 mt -112.38 165.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.827 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.9 m-85 -128.71 142.44 51.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -147.62 119.21 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.798 ' N ' HD12 ' A' ' 64' ' ' LEU . 81.9 m -123.84 135.66 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 23' ' ' LEU . 1.1 pt -134.24 108.94 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t -69.33 163.88 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 4.0 tttm -65.83 -21.42 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.3 OUTLIER -76.76 -0.02 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.4 t30 77.43 45.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.4 mp -114.9 103.52 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 66' ' ' ILE . 14.1 p -86.57 155.37 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 108.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.679 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 6.7 m-85 -92.78 164.21 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 135.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.71 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -84.34 154.51 22.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 1.4 pt-20 -55.27 -17.7 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -69.2 -6.93 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.77 27.65 37.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 1.8 tt0 -117.04 118.01 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.36 115.71 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.71 HD11 ' OD2' ' A' ' 76' ' ' ASP . 3.5 mt -75.65 131.56 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -77.26 121.68 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -145.24 151.3 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 1.5 t-20 -149.73 -178.39 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.5 m -77.92 -8.28 57.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.2 -51.31 66.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.95 -25.84 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-20 34.98 50.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -165.39 174.31 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 22.5 p90 -171.8 174.53 4.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 7.2 tt0 -130.79 143.95 51.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -164.01 135.79 4.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 59.17 21.09 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.21 -33.17 5.42 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.419 1.074 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.9 mp -67.96 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -125.79 133.9 51.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 7.9 m-85 -111.56 155.31 23.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CD2' HD12 ' A' ' 10' ' ' LEU . 5.5 t60 -152.88 114.53 4.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -98.45 104.08 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HG3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.68 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.58 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.1 Cg_endo -75.0 20.32 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.536 1.809 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 7.0 m-30 -114.99 164.09 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 71.6 mtm180 -148.96 145.89 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.035 HD23 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -99.23 144.75 28.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -134.23 136.1 43.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 98' ' ' PHE . 56.2 t -130.77 110.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -110.41 143.89 40.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.892 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.1 mp -103.2 157.43 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -74.62 -20.0 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -5.97 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.97 25.3 9.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -101.79 162.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -153.17 117.63 0.82 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.741 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 m-20 -118.62 168.4 10.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -147.43 141.56 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' HE2' HG21 ' A' ' 11' ' ' VAL . 38.6 m-85 -128.2 153.65 78.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 1.008 ' HB2' HD21 ' A' ' 4' ' ' LEU . 18.0 Cg_endo -75.08 144.51 30.09 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -117.6 131.7 56.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.852 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.8 m-85 -116.99 163.2 16.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -85.88 123.04 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.948 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.75 -155.34 22.6 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.925 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.46 106.48 14.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' LEU . 76.4 m-20 -100.29 157.74 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 62' ' ' ILE . 44.7 tp -139.06 152.97 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.9 mp -132.58 124.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.551 HG22 ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.5 119.0 55.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -111.48 96.85 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 121.5 -158.65 16.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.33 -1.72 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.846 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.708 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 -41.55 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -160.05 124.72 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.708 HD11 ' HG2' ' A' ' 47' ' ' PRO . 3.9 mt -101.25 141.4 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.604 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -126.97 107.48 22.08 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 165.89 30.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.5 t -135.33 77.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -77.0 3.4 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.892 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.4 p-10 -90.19 16.05 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.574 ' CB ' HD21 ' A' ' 32' ' ' LEU . 24.8 t -125.59 150.64 47.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -9.13 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.16 176.92 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -122.19 164.74 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 143.96 176.77 18.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.846 HD11 ' HB ' ' A' ' 35' ' ' THR . 27.8 mt -146.57 157.73 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.738 ' O ' HD12 ' A' ' 29' ' ' LEU . 82.3 mt -145.38 139.69 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.22 145.41 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 30' ' ' ILE . 4.4 tp -149.61 120.82 7.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.925 HG23 ' HA ' ' A' ' 27' ' ' ASN . 3.7 m -123.4 122.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.924 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.7 pt -117.11 126.44 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.82 147.23 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.16 -16.99 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -76.08 -0.33 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.647 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.8 t-20 80.4 39.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.5 mp -115.86 103.83 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.77 129.54 23.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.85 ' CE1' HD13 ' A' ' 84' ' ' ILE . 24.5 m-85 -104.46 163.71 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -164.65 154.5 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.998 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -13.48 10.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -73.53 -1.73 19.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.88 26.64 52.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -117.78 162.37 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 0.718 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.55 131.73 39.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.616 1.197 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' SER . 13.5 mt -89.05 137.1 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.58 120.62 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.85 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -151.08 148.17 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' N ' HG13 ' A' ' 84' ' ' ILE . 36.9 m-80 -131.22 152.82 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -65.04 -11.23 36.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.951 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.46 -51.8 68.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.32 -26.58 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.5 p30 36.86 57.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -165.25 171.32 13.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 21.7 p90 -179.32 169.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.2 tt0 -107.15 152.22 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -168.16 139.49 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 56.61 20.79 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -31.53 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.718 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.28 165.44 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.411 0.712 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.523 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -128.28 104.1 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 96' ' ' ILE . 58.7 m-85 -95.57 154.85 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.02 117.32 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.035 HD21 HD23 ' A' ' 9' ' ' LEU . 8.8 mp -103.39 103.95 13.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.813 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -61.77 166.13 6.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.3 Cg_endo -74.92 49.48 2.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.737 ' HB3' HD23 ' A' ' 23' ' ' LEU . 34.2 m-85 -147.97 164.47 33.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -147.78 146.13 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.464 HD13 HG21 ' A' ' 51' ' ' ILE . 7.1 tt -95.53 154.91 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -143.45 146.33 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -139.21 125.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -113.41 141.51 46.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.86 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.3 mp -104.57 155.78 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -24.72 63.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -68.15 -8.72 40.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.08 22.28 25.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.605 1.191 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 18' ' ' GLY . 7.8 t -91.61 167.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -158.12 112.56 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.955 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -107.47 159.58 16.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 127.44 37.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.908 ' CD2' HD11 ' A' ' 51' ' ' ILE . 89.4 m-85 -113.4 158.91 37.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.605 1.191 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 142.59 28.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -120.74 126.8 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.059 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.3 m-85 -111.93 152.35 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.813 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -77.16 123.46 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.52 -154.57 21.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.918 ' HA ' HG23 ' A' ' 65' ' ' THR . 1.1 m-20 -83.52 107.82 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -105.76 156.92 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD13 ' HG3' ' A' ' 47' ' ' PRO . 9.6 tt -136.36 151.14 49.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.526 HD12 HG22 ' A' ' 62' ' ' ILE . 4.0 mt -120.52 146.1 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -113.64 146.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.82 125.02 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.618 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 77.57 -157.97 46.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 1.65 40.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 50' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -19.22 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -143.05 118.88 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -112.41 123.18 67.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.908 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -121.73 110.04 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.556 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -75.01 159.4 41.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 10.9 t -135.04 62.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -75.21 3.36 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.86 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.0 p30 -87.04 12.32 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.65 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.2 m -101.21 167.51 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.77 -2.61 40.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.07 -179.28 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.618 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -116.64 168.67 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 153.07 -177.97 30.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.639 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.1 mm -140.77 137.69 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 30' ' ' ILE . 22.3 mt -123.66 165.05 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 30.2 m-85 -129.48 144.23 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.053 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -149.29 113.07 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 27' ' ' ASN . 40.3 m -119.46 131.2 55.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.832 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.5 pt -128.21 144.7 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -102.47 150.65 23.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.4 mtmp? -65.21 -10.64 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 33.4 m-20 -82.75 8.37 12.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.1 t-20 80.06 44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.2 mp -115.34 142.94 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.621 ' HA ' HG22 ' A' ' 66' ' ' ILE . 4.3 p -134.98 137.85 43.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.43 138.41 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.053 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 11.2 m-85 -121.15 164.36 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 4.9 t -168.14 151.08 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -94.31 154.68 17.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.72 -16.69 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -67.45 -7.53 26.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.36 22.28 54.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 128.97 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -70.89 136.12 48.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 84' ' ' ILE . 8.3 mt -92.33 133.3 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -70.9 120.75 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.689 HD11 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -149.1 152.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' HG13 ' A' ' 84' ' ' ILE . 8.4 m-20 -149.36 -178.76 6.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -80.5 -5.76 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.93 -51.71 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -119.34 -26.32 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.689 ' OD1' HD11 ' A' ' 84' ' ' ILE . 14.5 t-20 33.95 53.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.9 p -161.21 173.37 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 10.9 p90 -168.76 169.25 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.72 137.54 54.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 2.2 t80 -168.09 129.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 71.74 19.13 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 -26.47 8.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' ' CZ ' ' A' ' 98' ' ' PHE . 30.2 pt -78.05 162.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.646 ' O ' ' CE1' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -126.33 120.89 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 40.8 m-85 -95.96 154.04 17.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.646 ' CE1' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -159.99 132.1 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.99 111.14 22.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.658 HD22 ' CZ ' ' A' ' 24' ' ' TYR . 1.4 pp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.138 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -56.68 173.05 0.32 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.93 50.75 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 m-85 -117.1 174.76 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mpp_? -170.03 141.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.723 HD12 HD21 ' A' ' 100' ' ' LEU . 6.7 tt -92.13 156.44 17.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.58 143.7 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG2' HD21 ' A' ' 9' ' ' LEU . 7.0 t -139.45 115.63 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.99 141.36 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.4 mp -104.09 153.59 20.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.04 64.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -14.01 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.71 22.44 9.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.5 t -91.52 166.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.27 124.83 1.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.11 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.879 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -119.11 166.38 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -145.76 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 51' ' ' ILE . 22.1 m-85 -146.64 158.71 45.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 8' ' ' ARG . 18.1 Cg_endo -75.1 135.71 19.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.984 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -107.86 124.04 49.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.984 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.8 m-85 -100.59 142.6 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 1.138 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -75.14 113.64 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.8 -154.8 23.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -70.84 105.35 3.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.8 m-20 -104.29 156.43 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 50' ' ' ILE . 11.6 tp -136.81 153.61 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.5 mp -131.87 150.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -119.49 153.2 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD21 ' OD2' ' A' ' 94' ' ' ASP . 21.4 tp -132.73 140.61 48.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 69.23 -151.09 50.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -83.93 -3.97 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.625 ' CG2' HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.608 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -20.95 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 24' ' ' TYR . 3.5 t30 175.11 138.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 29' ' ' LEU . 2.5 mt -112.41 133.32 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -119.27 110.53 37.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.592 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 157.97 42.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.415 1.745 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.451 HG13 HG11 ' A' ' 11' ' ' VAL . 61.1 t -132.72 70.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.7 p -78.06 4.17 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.713 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.2 p30 -88.43 16.71 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.46 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -107.0 164.96 11.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.66 -10.61 28.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 m -118.31 -174.92 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.58 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -129.91 157.95 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 159.85 -161.27 32.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -150.03 156.35 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 mt -141.48 153.54 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 29' ' ' LEU . 7.6 m-85 -115.71 146.14 42.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD11 ' CG2' ' A' ' 66' ' ' ILE . 3.9 tp -147.25 117.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.538 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -117.61 112.34 20.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.792 HD13 HD11 ' A' ' 23' ' ' LEU . 5.2 pt -116.8 134.8 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -103.1 149.4 24.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.9 mttt -62.8 -12.32 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -81.09 3.28 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 81.07 33.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 17.9 mm -105.92 103.05 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -92.52 133.85 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -140.77 140.71 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 1.044 ' CE1' HD13 ' A' ' 84' ' ' ILE . 6.8 m-85 -121.31 163.92 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -165.75 164.33 18.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.8 154.37 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -63.83 -11.63 28.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -74.81 -1.5 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.97 27.36 37.91 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -117.47 161.32 19.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -92.24 160.73 15.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 75' ' ' SER . 52.3 mt -136.48 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.53 122.36 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.044 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -114.97 154.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.35 119.5 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -6.35 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -19.01 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.08 -25.02 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.3 m120 38.39 49.89 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -156.66 161.49 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 17.2 p90 -151.34 176.27 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 14.8 tt0 -139.3 145.55 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.423 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 5.3 t80 -168.26 147.35 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.951 ' OD2' HD21 ' A' ' 32' ' ' LEU . 25.1 m-20 58.71 21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.25 -27.52 6.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.1 mp -72.09 162.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.482 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -120.55 141.11 50.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 m-85 -122.16 152.15 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.09 125.28 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 9' ' ' LEU . 10.8 mt -102.09 104.82 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.213 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.829 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -63.9 165.72 12.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.96 49.87 2.36 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -132.1 175.65 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -170.78 135.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -91.89 149.04 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 9' ' ' LEU . 6.5 mp -139.59 116.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.739 HG11 HG13 ' A' ' 53' ' ' VAL . 2.6 t -109.86 108.89 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -117.09 135.58 53.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -94.13 170.88 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -79.92 -19.57 47.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.26 -6.23 33.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.02 24.85 7.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 2.2 t -97.22 152.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.636 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -162.48 103.04 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.385 1.053 . . . . 0.0 111.057 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.81 168.32 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE2' ' CZ ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -141.52 135.67 30.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 51' ' ' ILE . 18.9 m-85 -126.06 160.16 58.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -75.01 157.92 42.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -137.91 126.04 22.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.037 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -105.82 142.73 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.829 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.73 117.5 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.05 -154.6 22.88 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.559 1.162 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 65' ' ' THR . 24.2 m-80 -74.53 125.84 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.776 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -128.62 157.69 40.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 28' ' ' ASN . 6.8 mp -137.54 150.9 47.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 51' ' ' ILE . 36.4 mt -124.29 107.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.794 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.44 149.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.04 126.9 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 68.68 -155.5 53.41 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -83.55 2.24 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.735 HG21 HG12 ' A' ' 61' ' ' ILE . 50.6 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.719 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.67 -27.13 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -179.1 134.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 47' ' ' PRO . 8.3 mt -115.57 145.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -137.94 111.13 8.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.613 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.93 154.39 42.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.739 HG13 HG11 ' A' ' 11' ' ' VAL . 12.1 t -132.94 71.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.8 p -80.55 4.99 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.889 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.5 p30 -84.77 10.63 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 57.5 p -107.16 139.29 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -9.25 51.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 m -117.25 -177.63 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.599 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -131.68 158.4 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 162.19 -165.75 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.794 ' CD1' HG22 ' A' ' 31' ' ' VAL . 21.9 mm -141.38 157.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 2.7 mt -141.72 164.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 21.6 m-85 -126.31 140.45 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.5 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' HA ' ' A' ' 27' ' ' ASN . 54.9 m -121.22 134.65 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 23' ' ' LEU . 33.4 pt -134.56 126.0 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 13.6 t -86.18 163.23 17.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -19.71 64.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.5 m-20 -76.0 -0.03 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.691 ' C ' HD12 ' A' ' 71' ' ' ILE . 28.9 t-20 79.26 42.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -115.43 103.75 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.627 1.204 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HG22 ' A' ' 66' ' ' ILE . 31.7 p -92.46 155.2 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -158.75 113.86 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.835 ' CG ' HG21 ' A' ' 84' ' ' ILE . 9.1 m-85 -92.91 157.35 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.78 159.6 24.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.517 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.56 157.54 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -15.66 12.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -71.2 -5.46 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.89 25.83 39.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.4 tp10 -117.56 148.09 42.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.74 150.28 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 76' ' ' ASP . 29.0 mt -122.27 134.47 65.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -90.79 120.74 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.835 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -112.51 143.01 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.3 t-20 -65.76 120.7 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -75.47 -16.2 60.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -89.78 -16.46 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -22.52 9.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 89' ' ' ASN . 3.0 p-10 40.8 47.11 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 p -160.62 164.64 31.69 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 9.3 p90 -157.01 175.82 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.26 127.02 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.6 148.55 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 53.76 26.45 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.48 -18.85 31.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.574 1.172 . . . . 0.0 111.036 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.428 HG21 ' CG1' ' A' ' 11' ' ' VAL . 8.5 mm -69.97 155.76 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.09 90.56 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.084 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 52.6 m-85 -80.26 151.45 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -159.86 113.33 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 9' ' ' LEU . 5.2 mp -105.92 106.13 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.937 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.857 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -58.36 146.18 72.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 45.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.041 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.1 m-85 -124.29 160.37 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -133.15 155.46 49.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.88 HD13 ' N ' ' A' ' 10' ' ' LEU . 1.6 tm? -114.73 155.01 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.88 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.3 mp -140.79 139.8 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 9' ' ' LEU . 49.1 t -134.46 107.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 17.6 pttp -95.89 140.12 31.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.879 HD21 ' HB3' ' A' ' 55' ' ' ASP . 7.1 mp -104.11 152.3 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.7 -24.93 59.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.59 -8.3 46.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.62 19.77 28.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.4 t -91.4 169.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.17 119.77 0.9 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -111.33 168.55 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -137.61 140.44 40.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.679 ' CG ' HD11 ' A' ' 51' ' ' ILE . 89.5 m-85 -140.14 153.3 69.02 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.66 2.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.041 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -165.38 140.76 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.937 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.9 m-85 -110.64 143.98 40.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.395 1.059 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.99 113.1 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 139.84 -155.39 24.3 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -68.63 122.81 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 1.006 ' O ' HD23 ' A' ' 29' ' ' LEU . 3.6 m-20 -121.24 157.56 30.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 28' ' ' ASN . 23.3 mt -140.91 149.77 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -125.7 133.54 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.4 t -98.54 134.24 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -113.94 119.48 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 90.37 -157.69 25.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -3.99 57.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.71 ' HB ' HD11 ' A' ' 61' ' ' ILE . 3.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.595 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -23.66 47.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.606 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 48.6 t30 177.67 136.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 47' ' ' PRO . 29.8 mt -117.05 124.32 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.1 109.58 56.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.554 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 162.43 37.17 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' VAL . 7.9 t -134.55 83.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.6 p -81.36 4.95 18.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.879 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.56 16.47 18.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.598 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . 1.5 t -102.94 129.1 49.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -73.04 -9.2 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.75 -164.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 11.1 m-20 -134.23 163.9 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.52 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 147.9 -178.14 25.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.71 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mp -143.06 154.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 63' ' ' TYR . 75.4 mt -139.64 167.54 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.83 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.8 m-85 -130.57 143.21 50.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 30' ' ' ILE . 3.5 tp -141.37 125.14 16.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 64' ' ' LEU . 1.3 p -113.12 115.9 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -119.6 112.76 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.28 152.43 21.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -64.7 -11.76 39.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.34 14.23 6.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 3.8 m-80 67.8 43.07 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -111.91 104.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.13 138.88 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.5 mt-30 -147.81 146.92 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.86 ' CD1' HG21 ' A' ' 84' ' ' ILE . 9.7 m-85 -127.11 162.71 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -175.12 137.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.544 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -76.36 157.52 32.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -59.51 -14.82 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -3.94 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.68 27.34 38.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mm-40 -117.49 134.52 54.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -76.48 139.83 40.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.544 HD11 ' N ' ' A' ' 76' ' ' ASP . 3.1 mt -112.59 128.68 69.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.078 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.96 120.14 22.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.86 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.81 142.1 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -71.01 111.17 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.0 p -70.25 -5.82 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -96.09 -20.08 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.36 -23.7 8.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 43.54 43.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.61 145.66 23.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.997 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' CD1' ' A' ' 98' ' ' PHE . 25.6 p90 -139.31 175.27 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -134.35 144.47 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.37 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -168.39 147.93 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.558 ' OD2' HD12 ' A' ' 32' ' ' LEU . 36.0 m-20 55.54 21.94 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.3 6.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 1.7 mp -76.43 159.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.484 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -124.76 143.97 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 15.8 m-85 -123.9 153.79 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -152.75 121.98 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.87 ' CD2' HD23 ' A' ' 9' ' ' LEU . 7.5 mt -109.31 118.55 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.932 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.09 153.18 25.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 43.46 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.062 ' CB ' HD21 ' A' ' 23' ' ' LEU . 11.3 m-85 -132.05 166.3 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.51 146.57 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.9 OUTLIER -92.42 149.4 21.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -135.7 136.77 41.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 53' ' ' VAL . 87.1 t -136.01 107.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.98 132.9 51.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -104.72 166.93 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.534 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -63.0 -19.42 64.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.683 ' HB2' HD12 ' A' ' 13' ' ' LEU . 2.1 m-20 -70.7 9.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.65 22.13 73.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.655 ' CG1' HD21 ' A' ' 13' ' ' LEU . 39.7 t -102.61 166.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -157.27 129.1 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.4 139.61 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 7.5 pt-20 -120.01 130.57 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 51' ' ' ILE . 10.3 m-85 -128.41 156.52 76.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.609 ' HB2' HD11 ' A' ' 4' ' ' LEU . 18.2 Cg_endo -74.95 168.79 24.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.062 HD21 ' CB ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -150.5 139.27 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 4.8 m-85 -111.2 143.9 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -62.3 113.71 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.86 -153.78 23.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.889 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.5 m-80 -73.08 131.49 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 0.808 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -133.63 158.08 44.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD11 ' CG2' ' A' ' 61' ' ' ILE . 2.7 tt -140.14 152.89 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.698 HD12 HG22 ' A' ' 62' ' ' ILE . 5.9 mt -124.32 127.4 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.97 112.04 24.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -101.33 119.57 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.61 -162.76 16.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -82.95 -2.82 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' HD11 ' A' ' 61' ' ' ILE . 4.2 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.6 tt0 -81.12 -21.18 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 24' ' ' TYR . 9.3 t-20 -161.33 129.68 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.366 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' A' ' 47' ' ' PRO . 53.9 mt -111.3 146.32 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.788 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -141.77 110.8 6.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.628 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 158.57 42.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.855 ' CG1' HG11 ' A' ' 11' ' ' VAL . 3.3 t -133.85 84.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.6 p -80.33 4.63 17.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.941 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.93 16.66 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 32' ' ' LEU . 2.8 t -127.13 150.34 49.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.96 -7.61 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.206 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.43 169.72 11.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -127.34 142.85 51.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.728 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 156.01 -160.51 30.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.574 1.171 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.728 HD12 ' C ' ' A' ' 60' ' ' GLY . 2.3 mp -156.02 121.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.233 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 30' ' ' ILE . 3.3 mt -96.11 163.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE1' HD12 ' A' ' 29' ' ' LEU . 53.6 m-85 -122.02 142.95 49.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -149.32 116.55 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.889 HG23 ' HA ' ' A' ' 27' ' ' ASN . 34.4 m -120.87 132.32 54.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.449 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.6 mt -128.26 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -105.0 163.8 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -68.68 -19.89 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 37.0 m-20 -78.45 2.1 20.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.8 t30 77.8 42.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.5 mp -115.04 103.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.7 153.5 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -154.88 114.76 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 84' ' ' ILE . 24.9 m-85 -93.7 157.68 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.427 ' OG ' ' C ' ' A' ' 80' ' ' GLU . 3.3 t -165.34 154.96 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.607 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.36 158.91 15.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.4 -17.42 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -6.71 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 23.2 57.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 6.3 tt0 -117.91 131.58 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.1 pt20 -75.56 132.81 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 76' ' ' ASP . 12.1 mt -97.74 113.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -67.1 120.57 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.969 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.78 138.53 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 88' ' ' PHE . 12.4 p30 -81.28 111.46 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 78.2 p -60.42 -25.82 66.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -23.08 66.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -116.36 -23.31 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ASN . 41.0 m-20 45.32 38.71 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 p -155.16 151.6 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 5.0 p90 -143.14 175.01 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -133.06 146.22 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -168.64 142.6 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.44 22.61 9.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.8 -27.56 7.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.653 ' CG2' HG13 ' A' ' 11' ' ' VAL . 10.3 mm -67.73 159.28 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -123.23 103.34 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.959 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 72.7 m-85 -84.7 157.0 21.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.416 ' NE2' ' CG ' ' A' ' 101' ' ' LYS . 14.8 t60 -160.45 119.41 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 9' ' ' LEU . 2.4 mm? -101.13 104.89 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' CG ' ' NE2' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -163.74 175.36 10.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.49 34.31 20.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.623 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -116.12 118.2 32.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.4 165.0 32.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.1 Cg_endo -75.0 50.56 2.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 22.4 m-85 -141.7 162.01 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.495 ' HD2' HD11 ' A' ' 10' ' ' LEU . 5.5 ptp180 -150.54 152.74 34.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -102.66 144.99 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD11 ' HD2' ' A' ' 8' ' ' ARG . 4.7 mp -136.12 114.88 12.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 55' ' ' ASP . 51.0 t -107.74 110.73 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.28 133.11 53.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' A' ' 55' ' ' ASP . 6.2 mp -101.12 153.57 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -73.2 -21.54 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -68.29 -7.08 27.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.74 23.75 9.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.98 163.21 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -167.11 128.65 1.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.7 167.47 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -137.21 132.65 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 51' ' ' ILE . 92.9 m-85 -118.28 156.29 50.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.39 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -132.2 132.53 43.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.0 m-85 -119.07 149.92 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.796 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -73.02 120.18 18.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.2 -153.67 23.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.51 107.5 15.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -98.0 157.66 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 50' ' ' ILE . 7.3 tt -139.52 152.71 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 62' ' ' ILE . 4.1 mt -129.08 145.65 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -115.11 138.63 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -129.55 115.84 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 103.69 -156.53 17.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 8.3 ptp180 -83.47 -3.16 57.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.608 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p -50.79 -30.76 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 52' ' ' PRO . 3.2 tp -64.53 -40.86 90.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 pt-20 -81.01 -3.28 51.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 38' ' ' THR . 1.1 m -126.23 10.71 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' THR . 66.1 tp -81.2 167.29 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 3.5 mm-40 -117.15 157.88 25.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.35 162.02 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.65 -100.13 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -79.83 -13.23 59.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.05 9.65 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -88.75 41.61 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -49.01 -47.47 74.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.611 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.03 164.1 33.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.31 -19.83 18.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -148.45 120.25 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.915 HG12 HD22 ' A' ' 29' ' ' LEU . 14.5 mt -111.66 112.76 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -107.92 109.42 62.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.555 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 164.02 34.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' VAL . 19.0 t -133.16 76.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.8 p -78.06 4.01 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.732 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -92.72 16.32 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 32' ' ' LEU . 46.2 p -120.87 145.54 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -6.95 47.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 176.14 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 2.0 m-20 -117.71 167.4 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.66 172.36 12.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ILE . 3.1 mp -140.71 138.39 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.675 HG22 HD12 ' A' ' 30' ' ' ILE . 10.9 mt -113.96 163.63 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.482 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 79.5 m-85 -130.49 141.61 50.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -149.04 125.88 11.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.0 m -123.77 135.62 53.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.912 ' CD1' HD11 ' A' ' 23' ' ' LEU . 28.0 pt -129.41 139.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -103.93 152.18 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.71 -15.98 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -81.94 4.55 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 71' ' ' ILE . 7.9 m-80 74.9 41.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -115.07 104.65 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.438 ' CB ' HG22 ' A' ' 66' ' ' ILE . 22.1 p -95.53 155.67 16.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -157.66 111.75 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.04 ' CE1' HD13 ' A' ' 84' ' ' ILE . 15.5 m-85 -92.78 159.65 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -173.94 137.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -82.26 159.9 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.25 -14.09 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -1.82 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.03 27.79 51.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 75' ' ' SER . 1.1 tt0 -118.25 137.21 53.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 11.3 pt20 -82.56 121.71 27.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 84' ' ' ILE . 4.1 mt -77.58 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -68.97 119.81 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.04 HD13 ' CE1' ' A' ' 74' ' ' PHE . 1.6 tt -152.6 161.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.432 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 42.3 m-20 -149.76 159.58 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -10.42 39.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -51.21 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.2 m-85 -117.86 -26.55 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 84' ' ' ILE . 41.5 t-20 34.35 41.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 p -140.14 162.17 35.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 74' ' ' PHE . 3.8 p90 -165.26 162.06 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -118.69 128.28 54.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -149.51 140.12 22.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.475 ' OD2' ' CD1' ' A' ' 32' ' ' LEU . 25.9 m-20 60.09 20.07 9.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.41 -26.21 12.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 97' ' ' SER . 2.3 mp -69.41 163.27 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -128.6 100.14 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.446 ' HD2' HG22 ' A' ' 11' ' ' VAL . 16.1 m-85 -91.21 149.49 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -155.86 121.37 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -96.25 106.57 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -80.19 136.7 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 3.1 p-10 -133.16 131.47 40.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -176.3 159.42 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -48.61 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.19 164.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t0 59.94 109.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -44.07 167.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.61 53.24 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.78 118.59 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.898 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.73 165.06 49.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.95 51.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -142.78 174.76 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.91 145.39 7.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -94.85 146.16 24.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -136.93 118.99 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 96' ' ' ILE . 20.9 t -113.41 111.91 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.57 132.08 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 55' ' ' ASP . 2.0 mp -92.82 154.96 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -74.97 -19.86 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -68.96 -6.37 27.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.57 9.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.14 164.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -157.52 128.21 2.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.05 166.75 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 138.81 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 51' ' ' ILE . 96.4 m-85 -123.98 156.19 66.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.64 32.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.504 1.791 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.2 tm? -117.95 135.58 54.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.8 m-85 -118.75 154.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.898 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -83.32 117.19 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 132.92 -154.93 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -74.74 128.43 35.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' LEU . 97.1 m-20 -131.38 156.29 45.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 62' ' ' ILE . 9.5 tp -135.02 153.56 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.4 mp -128.59 139.31 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.651 HG13 ' CD1' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -106.18 147.67 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -132.27 123.86 27.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.2 -155.98 29.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 38' ' ' THR . 72.5 mtt180 -82.04 1.66 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 0.833 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 61' ' ' ILE . 3.6 m -45.45 -27.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.346 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.892 HD12 ' HB3' ' A' ' 52' ' ' PRO . 12.0 tt -75.24 -46.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -12.27 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 34' ' ' ARG . 3.0 t -125.18 18.5 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 63.5 tp -89.79 167.8 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 33.2 mt-10 -105.87 157.84 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -127.27 162.94 25.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.27 -89.78 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -7.49 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.81 9.76 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -86.16 45.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -74.82 -48.5 4.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.942 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -74.95 161.35 39.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.822 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.19 -21.17 50.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -171.06 136.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 40.8 mt -113.77 148.66 16.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -136.88 111.3 9.45 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.892 ' HB3' HD12 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.811 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.3 t -133.1 62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -76.46 4.35 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.9 p30 -87.75 15.81 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.6 t -121.62 152.13 39.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -86.91 -9.13 56.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.52 168.91 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.567 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -122.27 153.79 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 157.81 -172.63 35.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.416 1.073 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.651 ' CD1' HG13 ' A' ' 31' ' ' VAL . 15.5 mm -137.1 166.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.6 mt -149.8 163.13 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 9.2 m-85 -126.71 146.35 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -147.26 112.72 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -112.85 113.76 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.429 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -114.14 141.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.537 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 6.0 t -96.48 170.55 9.14 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -81.77 -13.77 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -82.83 8.61 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 0.7 OUTLIER 81.46 46.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 11.0 mm -110.87 145.55 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -135.49 118.41 16.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.88 131.69 53.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.847 ' CG ' HG21 ' A' ' 84' ' ' ILE . 28.5 m-85 -106.31 154.89 20.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.512 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -161.89 166.44 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -104.66 154.88 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -64.84 -11.23 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -76.97 0.3 21.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.52 35.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CB ' ' OD1' ' A' ' 76' ' ' ASP . 13.8 mm-40 -117.5 162.53 17.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -94.9 153.5 17.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.092 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.512 HD12 ' C ' ' A' ' 75' ' ' SER . 58.3 mt -127.87 116.26 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -81.39 120.5 25.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.82 144.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.546 ' O ' HD12 ' A' ' 84' ' ' ILE . 3.1 m120 -74.05 131.5 41.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -21.12 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.29 -22.32 52.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.77 -24.01 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 81.7 m-20 39.62 44.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 155.21 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 6.9 p90 -146.21 174.52 11.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 6.0 tt0 -132.67 143.37 49.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 7.8 t80 -162.43 145.59 11.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 54.76 21.97 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.59 -28.11 7.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -70.51 161.58 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -117.41 142.6 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m-85 -124.53 152.61 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -156.42 122.76 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.124 HD11 HD23 ' A' ' 9' ' ' LEU . 2.0 mm? -102.99 108.73 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -80.04 146.19 32.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 10.6 p-10 -126.31 160.24 30.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.7 144.03 30.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -41.57 158.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.232 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.79 143.12 43.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.47 -53.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 p -169.47 139.65 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 17.4 t30 -127.87 60.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.863 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -114.51 116.99 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.61 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -61.71 152.03 76.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' MET . 18.3 Cg_endo -74.95 48.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.053 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.3 m-85 -133.99 165.65 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -153.59 149.97 28.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -93.0 151.32 19.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -135.21 136.67 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.354 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 53' ' ' VAL . 3.0 t -136.89 108.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.1 OUTLIER -109.42 135.58 50.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 55' ' ' ASP . 7.8 mp -98.96 155.21 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -69.52 -23.87 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -68.63 -6.82 28.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 24.89 10.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.06 162.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -161.39 150.31 19.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.513 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -150.9 163.35 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 mp0 -141.3 152.21 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 51' ' ' ILE . 12.0 m-85 -146.87 157.06 47.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.94 -170.6 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.053 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -174.3 140.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.863 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.3 m-85 -109.92 142.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -57.35 118.89 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.26 -155.73 23.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.9 m-80 -71.58 126.81 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.742 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -125.01 156.86 37.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 28' ' ' ASN . 24.5 mt -133.32 148.22 51.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 41.2 mt -126.25 104.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.825 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.88 152.73 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.077 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.25 121.81 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.23 -156.02 51.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -83.71 0.83 45.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.741 HG21 HG12 ' A' ' 61' ' ' ILE . 22.0 m -45.19 -28.72 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.759 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.2 tt -66.92 -40.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -58.78 -14.92 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.8 t -137.13 19.74 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 40' ' ' GLU . 58.6 tp -80.06 164.76 23.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' H ' HD12 ' A' ' 39' ' ' LEU . 17.6 mt-10 -116.75 163.71 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -135.89 164.14 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.65 161.38 14.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -87.97 -34.99 17.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 0.827 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.42 9.81 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -122.44 36.42 4.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -67.37 116.97 42.27 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo -74.93 156.23 43.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.776 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.3 tp10 -76.1 -24.38 55.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 24' ' ' TYR . 23.5 t30 178.21 131.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.77 HD11 ' HG2' ' A' ' 47' ' ' PRO . 14.2 mt -111.41 144.35 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -136.14 113.42 10.52 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.527 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.05 151.25 39.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 32' ' ' LEU . 32.0 t -122.45 69.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -78.14 4.23 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.821 ' O ' HD21 ' A' ' 13' ' ' LEU . 4.2 p30 -87.92 15.34 7.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -113.41 138.14 50.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -7.35 38.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 -176.0 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.921 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 29.1 p30 -126.66 174.08 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.81 -171.7 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.825 ' CD1' HG22 ' A' ' 31' ' ' VAL . 19.9 mm -141.57 151.04 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 0.8 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.3 mt -139.98 163.85 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 13.7 m-85 -128.63 142.32 51.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -148.96 117.89 6.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.1 m -118.09 136.2 53.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -132.76 115.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.14 155.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -61.9 -14.49 34.63 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 66.4 m-20 -84.05 1.6 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.2 t-20 79.66 35.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 36.1 mm -104.35 103.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.4 p -93.03 151.9 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.1 120.56 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.906 ' CD1' HG21 ' A' ' 84' ' ' ILE . 12.9 m-85 -101.71 155.08 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.463 ' HG ' ' C ' ' A' ' 80' ' ' GLU . 3.1 t -163.59 150.94 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -91.58 157.74 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.39 -14.76 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 -3.64 27.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.94 26.61 44.37 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.463 ' C ' ' HG ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -117.97 129.47 55.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.84 133.41 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.515 HD11 ' OD2' ' A' ' 76' ' ' ASP . 5.7 mt -100.53 131.79 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -84.32 120.29 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.906 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.28 142.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -78.59 104.39 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -58.42 -21.47 50.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.42 -24.41 62.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -116.09 -20.57 9.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 43.66 55.32 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -167.02 163.66 15.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.186 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 4.0 p90 -155.86 175.38 14.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -135.87 148.71 48.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.21 147.19 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 57.54 24.02 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.44 -30.51 5.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.33 163.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.498 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -123.01 108.99 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 96' ' ' ILE . 25.0 m-85 -92.89 158.81 15.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -160.28 132.33 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.543 HD11 HD23 ' A' ' 9' ' ' LEU . 3.1 mm? -109.36 105.63 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.99 146.28 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 51.2 p-10 -129.1 161.03 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -132.37 162.3 31.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.85 99.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.32 171.54 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -116.73 126.78 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -52.56 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -119.65 64.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.595 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.93 117.07 29.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -62.27 166.01 7.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -75.01 48.73 2.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 23' ' ' LEU . 45.8 m-85 -147.43 157.67 43.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -144.83 147.22 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.882 HD23 HD11 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -95.34 148.45 22.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.65 146.73 38.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 ' CE2' ' A' ' 98' ' ' PHE . 4.7 t -138.88 118.02 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -118.01 134.68 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.9 mp -97.73 158.16 15.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -72.97 -22.27 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -6.64 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.28 25.95 9.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.79 160.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -158.22 142.08 8.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.93 165.24 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.83 147.17 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 51' ' ' ILE . 65.7 m-85 -137.04 156.08 75.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -74.99 150.41 38.13 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.056 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -128.22 128.83 45.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.056 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -111.66 143.27 42.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -63.13 129.77 41.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . 125.96 -155.66 19.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.926 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m-20 -77.01 129.75 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -131.3 156.16 45.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.981 HD12 ' HG3' ' A' ' 47' ' ' PRO . 95.6 mt -138.82 150.63 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.513 HD12 ' CG2' ' A' ' 62' ' ' ILE . 19.9 mt -118.27 120.97 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.998 HG11 ' HB ' ' A' ' 36' ' ' ILE . 6.4 t -89.64 107.25 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -104.34 96.84 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 132.69 -176.78 19.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -82.31 1.6 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 61' ' ' ILE . 31.0 m -45.48 -40.17 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.998 ' HB ' HG11 ' A' ' 31' ' ' VAL . 15.7 tt -54.8 -47.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -25.42 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -98.94 -19.33 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -82.3 176.85 9.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.91 175.9 8.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -128.19 172.56 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.17 -101.59 2.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.69 -8.55 56.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.229 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -97.98 9.91 41.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -85.19 45.9 1.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.527 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -44.32 -49.32 24.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 110.995 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.981 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.1 Cg_endo -75.04 161.92 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.575 1.829 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -169.88 125.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -112.45 126.69 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.695 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -118.2 108.15 42.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.545 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 167.24 27.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.951 ' HB ' HD22 ' A' ' 32' ' ' LEU . 2.8 t -134.37 82.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -78.13 4.1 13.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.774 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -96.24 16.12 19.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.556 ' OG ' HD13 ' A' ' 32' ' ' LEU . 93.2 p -131.06 148.29 52.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.043 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -9.75 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -77.08 169.67 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.054 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -126.87 138.79 53.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 152.43 174.31 22.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.668 HD11 HG21 ' A' ' 35' ' ' THR . 3.8 mp -138.69 122.4 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.513 ' CG2' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -94.79 164.07 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.8 m-85 -114.92 142.15 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -150.14 104.48 3.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.926 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.5 m -115.29 131.24 56.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.988 HD11 HD11 ' A' ' 23' ' ' LEU . 1.7 pt -124.8 144.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.503 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -99.44 155.95 17.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -12.0 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.91 18.91 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 1.8 m120 67.19 48.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -114.22 151.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.773 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.2 p -135.43 145.46 47.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -150.48 113.67 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.836 ' CG ' HG21 ' A' ' 84' ' ' ILE . 6.0 m-85 -101.0 154.64 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -162.66 162.78 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.578 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.67 160.98 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 29.3 tt0 -56.6 -16.01 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.17 1.48 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.55 26.61 69.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 3.4 mt-10 -117.66 128.94 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.69 134.11 46.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.578 HD11 ' OD2' ' A' ' 76' ' ' ASP . 6.9 mt -100.42 124.75 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -75.09 120.48 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.836 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.1 134.79 55.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 1.065 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.698 ' O ' HD12 ' A' ' 84' ' ' ILE . 5.2 m120 -59.92 129.88 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -80.67 -26.49 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.3 -16.71 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' A' ' 85' ' ' ASN . 21.4 m-85 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 65.0 m-20 42.6 56.77 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.6 p -164.41 -177.5 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 98' ' ' PHE . 14.6 p90 -170.87 176.02 4.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 3.6 tt0 -139.67 134.54 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -157.37 147.27 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.1 20.94 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.95 -21.14 25.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.56 ' CG2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mt -73.46 164.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -128.31 97.19 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.725 ' CE2' HG13 ' A' ' 11' ' ' VAL . 59.9 m-85 -91.99 155.81 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CE1' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.66 142.91 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.562 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.882 HD11 HD23 ' A' ' 9' ' ' LEU . 3.9 mm? -114.07 105.05 12.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -80.01 145.78 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -124.72 146.53 49.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.2 mtp -115.01 154.4 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -76.21 -62.62 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.76 160.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -177.37 163.52 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -169.47 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -106.34 82.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.9 118.13 33.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -60.87 152.22 70.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.94 42.23 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 3.1 m-30 -114.46 -176.35 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -161.19 137.1 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD23 ' HG ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -106.74 141.3 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ASP . 5.4 mp -136.8 141.3 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 96' ' ' ILE . 76.5 t -135.58 107.84 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -100.0 131.26 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.783 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -104.65 164.59 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.35 -20.57 55.68 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 8.4 t-20 -68.92 7.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.75 19.48 71.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.783 ' HB ' HD21 ' A' ' 13' ' ' LEU . 45.0 t -103.68 169.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -154.71 131.3 3.11 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -113.84 134.11 54.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 27.8 tt0 -111.36 115.5 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.861 ' CG ' HD11 ' A' ' 51' ' ' ILE . 49.2 m-85 -108.09 157.56 35.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.01 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.063 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -161.72 146.32 13.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 4' ' ' LEU . 6.5 m-85 -120.88 143.52 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -62.83 113.29 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.69 -154.84 22.31 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.863 ' HA ' HG23 ' A' ' 65' ' ' THR . 3.5 m120 -72.27 133.81 45.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -132.24 157.21 44.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' HE1' ' A' ' 63' ' ' TYR . 9.8 tt -131.64 152.64 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 62' ' ' ILE . 15.1 mt -127.59 146.59 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.803 HG11 ' HB ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -118.3 140.19 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.387 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD22 ' HB ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -130.29 108.98 10.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.02 -156.42 18.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.4 ptm180 -82.98 -1.95 53.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.928 ' HB ' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -46.07 -34.05 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.844 HD12 ' HB3' ' A' ' 52' ' ' PRO . 7.0 tt -62.35 -43.18 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -65.3 -9.86 27.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 35' ' ' THR . 8.9 t -134.18 20.1 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 40' ' ' GLU . 54.7 tp -82.63 164.42 20.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' H ' HD12 ' A' ' 39' ' ' LEU . 6.2 mp0 -128.91 169.15 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -136.8 165.34 26.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.17 -178.53 18.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -95.02 -54.16 3.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.26 9.37 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.17 44.52 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.219 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CD1' ' HD2' ' A' ' 47' ' ' PRO . 49.0 t80 -106.66 140.16 21.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 18.5 Cg_endo -74.95 163.58 35.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.0 tp10 -58.41 -37.78 76.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -174.3 142.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG12 HD22 ' A' ' 29' ' ' LEU . 3.2 mt -106.44 148.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.861 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -134.03 111.54 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.844 ' HB3' HD12 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 163.3 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.669 ' HB ' HD22 ' A' ' 32' ' ' LEU . 22.6 t -133.21 74.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.5 p -78.18 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.755 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.66 15.76 9.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 96' ' ' ILE . 86.7 p -121.11 150.68 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -95.91 -1.9 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.8 m -113.69 172.76 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.53 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 1.3 p30 -109.47 177.61 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 131.56 173.24 13.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.7 mp -136.69 149.72 26.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 30' ' ' ILE . 7.9 mt -129.45 164.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HE1' HD12 ' A' ' 29' ' ' LEU . 15.5 m-85 -125.39 143.91 50.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -149.25 120.45 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.863 HG23 ' HA ' ' A' ' 27' ' ' ASN . 91.8 m -125.59 136.26 53.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.647 HD12 HD23 ' A' ' 23' ' ' LEU . 1.8 mt -132.66 141.72 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -104.21 149.85 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -60.27 -15.55 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 44.0 m-20 -81.27 1.8 30.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.621 ' C ' HD12 ' A' ' 71' ' ' ILE . 15.0 t-20 79.2 40.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -114.91 104.47 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.37 153.39 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.262 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.47 118.74 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CD1' HG21 ' A' ' 84' ' ' ILE . 16.6 m-85 -93.85 161.96 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.41 165.34 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -109.02 153.72 23.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 3.0 tm-20 -62.57 -12.34 22.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -4.07 27.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.04 25.12 38.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -117.69 162.1 18.59 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.429 0.723 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -90.12 154.61 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.362 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.8 mt -125.31 121.73 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.41 120.52 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.07 143.87 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ASN . 17.6 m-20 -76.72 126.52 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 t -77.73 -21.06 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.01 -19.36 51.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -116.34 -24.37 7.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ASN . 79.0 m-20 44.31 38.58 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.86 151.47 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.5 p90 -142.8 176.33 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -131.09 146.79 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -165.44 139.84 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.57 21.08 8.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.26 -28.9 8.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.628 HG21 HG13 ' A' ' 11' ' ' VAL . 1.6 mp -66.56 162.38 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -124.4 104.94 9.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.902 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 50.9 m-85 -83.84 159.29 21.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -160.41 116.18 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.565 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' HD23 ' A' ' 9' ' ' LEU . 7.0 mp -110.3 117.68 34.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 144.32 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -127.66 135.84 50.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -103.09 89.7 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.51 162.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -141.54 111.22 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.53 -60.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 tttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -169.04 95.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -161.19 147.25 14.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.27 118.86 34.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.81 163.49 64.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.92 53.08 3.19 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' LEU . 41.8 m-85 -142.22 173.17 11.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -160.88 141.93 11.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -91.75 147.04 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 99' ' ' HIS . 4.5 mp -135.93 114.59 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.604 ' CG1' HG21 ' A' ' 96' ' ' ILE . 38.1 t -103.44 107.72 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.56 132.69 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.842 HD21 ' CB ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -99.06 162.93 12.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.437 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -73.77 -22.38 59.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -5.48 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.09 25.81 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -95.79 160.55 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.18 103.95 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.78 164.82 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.46 134.02 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.892 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.4 m-85 -121.96 158.05 55.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 139.08 24.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.591 1.837 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -111.71 134.59 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.786 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.1 m-85 -118.2 155.31 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.827 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -82.74 120.76 26.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.07 -154.78 18.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.654 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -72.16 131.21 42.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 m-20 -125.57 157.77 36.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 30' ' ' ILE . 8.6 tt -131.24 152.45 50.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.3 mp -132.04 144.23 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.848 ' HA ' HD13 ' A' ' 61' ' ' ILE . 1.1 t -114.01 148.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.905 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.21 124.69 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 71.11 -155.44 52.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -83.29 1.62 40.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.688 HG21 HG12 ' A' ' 61' ' ' ILE . 19.3 m -46.62 -26.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.725 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.4 tt -71.84 -40.33 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ARG . 14.3 mt-10 -57.97 -14.86 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -136.28 20.32 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' ' 40' ' ' GLU . 52.5 tp -79.6 165.03 23.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.542 ' H ' HD12 ' A' ' 39' ' ' LEU . 3.2 mm-40 -125.16 169.52 12.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -137.36 168.48 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.95 -175.05 13.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -95.15 -54.08 3.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.14 9.56 35.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -118.18 40.68 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.227 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 115.65 65.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.0 Cg_endo -75.06 159.59 40.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.44 -24.87 63.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.602 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 8.5 t30 -174.99 140.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.66 HG23 HD22 ' A' ' 29' ' ' LEU . 3.0 mt -112.42 147.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.892 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -138.24 108.92 8.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 161.09 39.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.413 1.744 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.905 ' HB ' HD22 ' A' ' 32' ' ' LEU . 76.2 t -134.49 64.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 p -75.47 3.6 8.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.842 ' CB ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.58 16.48 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' HD11 ' A' ' 96' ' ' ILE . 32.0 t -107.41 149.58 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -82.51 3.76 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -136.27 168.81 18.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.9 164.73 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 154.61 -168.83 32.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.415 1.072 . . . . 0.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.848 HD13 ' HA ' ' A' ' 31' ' ' VAL . 17.6 mm -143.78 149.33 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.952 HG22 HD13 ' A' ' 30' ' ' ILE . 12.1 mt -134.53 162.48 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 37.8 m-85 -130.52 144.09 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.963 ' HB3' HD11 ' A' ' 30' ' ' ILE . 1.4 tp -150.07 130.33 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 27' ' ' ASN . 96.9 m -127.93 138.57 52.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -131.74 144.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.4 m -103.16 152.48 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.1 mttt -64.41 -12.19 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.1 m-20 -80.94 5.51 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.2 t-20 80.55 41.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -110.26 148.66 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.14 145.52 47.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 137.38 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CG ' HG21 ' A' ' 84' ' ' ILE . 21.9 m-85 -110.7 163.95 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.446 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.5 p -166.67 158.77 13.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 153.54 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.57 32.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -4.16 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.74 28.06 30.3 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.27 161.18 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.1 129.51 51.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' C ' ' A' ' 75' ' ' SER . 6.3 mt -101.89 113.48 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -72.25 123.41 22.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.583 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -125.85 146.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -75.09 118.37 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 m -71.13 -18.27 62.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -75.29 -22.55 57.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -24.32 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 6.7 t-20 39.98 59.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.93 158.28 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.062 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -170.79 178.02 3.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -137.64 153.07 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -167.52 143.22 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.99 26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.03 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.747 HG23 HD12 ' A' ' 13' ' ' LEU . 5.7 mm -68.67 153.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -124.61 94.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 74.7 m-85 -76.23 158.09 31.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' HD13 ' A' ' 10' ' ' LEU . 17.1 t60 -159.23 119.0 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 3.0 mm? -100.98 105.15 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -100.22 146.02 27.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -85.1 115.9 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -69.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -171.37 104.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.91 123.47 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.18 -54.7 2.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -167.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.995 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -105.32 126.59 52.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.88 120.4 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.831 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -68.14 164.4 42.57 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -75.1 52.7 3.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -138.9 168.32 20.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -152.88 137.14 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -94.66 148.69 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.972 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -138.09 137.67 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.67 HG11 ' OD1' ' A' ' 55' ' ' ASP . 91.0 t -129.65 114.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 13.1 ptpt -111.69 130.35 55.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.946 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.7 mp -98.11 158.71 15.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 14' ' ' THR . 1.4 p -70.03 -22.41 63.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' HB3' HG23 ' A' ' 17' ' ' VAL . 1.6 t-20 -68.77 -5.59 21.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.71 25.11 16.02 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.5 t -102.28 154.76 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -152.38 112.27 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.972 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.1 m-20 -108.46 168.25 9.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.07 135.97 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.911 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.6 m-85 -124.31 154.14 68.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.67 28.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -110.98 134.64 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.785 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-85 -118.57 154.32 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.831 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -82.61 114.27 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 66' ' ' ILE . . . 133.65 -155.38 21.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.73 ' HA ' HG23 ' A' ' 65' ' ' THR . 6.7 m-80 -69.44 116.12 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 66' ' ' ILE . 13.7 m-20 -122.55 115.14 21.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.99 150.51 20.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 HG23 ' A' ' 51' ' ' ILE . 10.3 mt -125.61 108.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.688 HG21 ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -76.26 152.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -133.21 126.9 32.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 62.85 -151.53 47.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' GLU . 6.2 mtm180 -83.3 1.08 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.582 HG21 HG12 ' A' ' 61' ' ' ILE . 33.3 m -45.97 -25.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.688 ' HB ' HG21 ' A' ' 31' ' ' VAL . 4.0 tt -70.17 -41.2 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' ARG . 12.5 mt-10 -72.62 -3.49 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 35' ' ' THR . 1.2 t -138.03 19.69 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 40' ' ' GLU . 49.9 tp -80.48 164.5 22.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' H ' HD12 ' A' ' 39' ' ' LEU . 1.7 mp0 -111.8 161.45 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 40' ' ' GLU . 1.1 m-85 -135.01 157.44 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.23 -132.42 1.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.425 1.078 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -94.86 -9.81 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.81 11.43 39.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' HD3' ' A' ' 47' ' ' PRO . 1.7 t-20 -80.96 47.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.504 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -133.44 58.73 35.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.722 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.05 164.01 34.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -80.6 -21.83 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.604 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER 176.36 133.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.722 HD11 ' HG2' ' A' ' 47' ' ' PRO . 7.7 mt -115.27 131.71 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.911 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -123.47 111.36 29.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.59 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 152.44 40.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' VAL . 13.3 t -129.79 63.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -76.6 4.42 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.946 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -84.91 12.32 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -110.74 139.3 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.12 -13.02 31.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.5 m -117.03 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -128.81 175.82 8.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.72 -166.28 28.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.7 mm -141.16 159.61 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 0.71 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 30' ' ' ILE . 6.2 mt -148.36 159.13 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 6.9 m-85 -119.01 141.45 48.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.88 94.22 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.73 HG23 ' HA ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -99.86 123.83 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -120.98 142.9 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.087 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 66' ' ' ILE . 44.7 t -103.64 163.02 12.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 4.1 ttpt -71.36 -13.72 61.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.5 m-20 -82.3 2.43 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.9 t30 79.24 39.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.252 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 24.6 mm -114.87 104.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.29 140.62 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.02 119.9 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.791 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.5 m-85 -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -162.34 169.17 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.67 154.03 22.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -64.7 -11.05 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -1.85 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.07 28.9 29.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.71 162.51 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.87 145.86 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 75' ' ' SER . 73.7 mt -117.33 117.81 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 120.78 26.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.791 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -118.24 142.55 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 84' ' ' ILE . 68.1 m-80 -69.67 124.16 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -15.77 58.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -18.04 34.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.84 -25.02 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 78.6 m-20 41.71 54.64 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.2 m -157.83 165.58 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 3.7 p90 -161.63 168.76 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 8.6 tt0 -129.72 138.09 50.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.16 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 1.3 t80 -157.87 141.11 15.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 59.56 22.26 10.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.4 -28.37 7.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.9 mp -66.11 163.39 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.497 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -125.73 117.74 24.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.754 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 51.3 m-85 -94.82 155.98 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 19.2 t60 -159.56 110.12 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 9' ' ' LEU . 9.9 mp -106.12 103.23 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 13.6 tttt -133.89 148.34 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -66.4 140.64 58.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 3.2 tpp -164.28 84.63 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 103' ' ' MET . 2.0 ttm105 77.91 149.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.0 153.91 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.12 149.54 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 107' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -168.83 -176.99 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -88.82 44.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.75 117.6 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -65.02 165.32 16.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.91 51.91 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 23' ' ' LEU . 39.6 m-85 -141.16 173.59 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.33 138.82 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.99 148.69 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.614 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -140.95 144.4 35.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 96' ' ' ILE . 53.0 t -140.24 116.0 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -109.71 142.97 40.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -104.42 156.26 18.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -56.93 -26.14 58.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.13 -7.64 37.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.82 20.81 30.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.1 t -84.92 170.44 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -163.38 129.77 2.09 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.557 1.16 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.2 129.43 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 109.253 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.25 119.38 39.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CD2' HD11 ' A' ' 51' ' ' ILE . 73.3 m-85 -106.2 160.04 27.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.98 143.87 29.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -118.61 133.72 55.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.802 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.92 148.13 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.913 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -76.48 122.95 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -154.85 20.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -69.87 117.9 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 0.804 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -114.76 156.77 24.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.068 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 30' ' ' ILE . 2.3 tm? -132.12 150.52 52.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.997 ' N ' HD13 ' A' ' 29' ' ' LEU . 10.2 mt -133.72 112.85 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.926 HG11 ' HB ' ' A' ' 36' ' ' ILE . 43.8 t -91.51 144.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.762 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -125.93 116.88 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 94.13 -164.34 25.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.596 1.185 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 1.2 42.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -45.44 -36.97 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.926 ' HB ' HG11 ' A' ' 31' ' ' VAL . 4.2 tt -53.94 -43.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -39.04 91.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.28 4.14 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 39' ' ' LEU . 1.5 tp -93.01 176.63 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.13 173.57 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 46' ' ' PHE . 24.6 m-85 -127.57 170.31 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 164.09 37.19 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.412 1.07 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.98 -52.27 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.15 9.16 14.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.44 40.55 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -143.43 171.67 6.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 46' ' ' PHE . 18.1 Cg_endo -75.06 155.64 42.64 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.504 1.792 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -57.14 -21.31 31.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 9.2 t30 -169.82 130.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.632 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.9 tt -116.85 140.45 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.646 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -139.2 106.99 7.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.525 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -133.88 67.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.0 p -76.31 4.84 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.448 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.851 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.1 p30 -85.85 15.48 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 p -117.29 162.22 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 -2.81 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -122.61 173.62 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -108.61 177.75 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 148.49 175.22 20.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 31' ' ' VAL . 19.0 mm -142.91 155.33 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -149.18 157.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CD2' HD23 ' A' ' 29' ' ' LEU . 40.3 m-85 -124.11 144.95 49.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.1 tp -149.92 120.69 7.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.838 HG23 ' HA ' ' A' ' 27' ' ' ASN . 85.5 m -123.6 135.18 53.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 72' ' ' CYS . 4.7 pt -131.33 144.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 23.0 t -98.67 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -75.54 -13.27 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 8.5 m-20 -79.56 5.68 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.0 m120 79.78 42.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.1 mp -113.78 147.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.835 ' HA ' HG22 ' A' ' 66' ' ' ILE . 26.6 p -135.17 150.0 50.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -155.49 120.54 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.776 ' CG ' HG21 ' A' ' 84' ' ' ILE . 15.4 m-85 -94.34 162.31 13.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.591 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -161.3 166.31 27.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -106.36 157.76 17.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HB ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.47 -8.76 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 11.48 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.39 32.41 65.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.6 161.91 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -94.93 146.9 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.591 HD12 ' C ' ' A' ' 75' ' ' SER . 48.5 mt -122.62 130.79 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.385 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -97.35 120.27 37.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.776 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -108.71 141.79 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.196 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ASN . 97.7 m-20 -66.03 133.91 51.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -81.18 -34.69 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -16.32 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.9 -24.79 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASN . 14.7 m120 38.89 46.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -158.9 169.67 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.3 p90 -157.26 175.89 13.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 9.1 tt0 -135.82 143.48 45.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -166.44 147.8 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.92 21.21 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.78 -26.92 7.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.648 HG21 HG13 ' A' ' 11' ' ' VAL . 1.4 mp -71.34 161.81 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 0.804 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -119.95 107.7 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 11' ' ' VAL . 45.2 m-85 -93.11 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p-80 -156.62 134.63 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 6.8 mp -115.51 113.49 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -84.26 145.21 28.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -120.22 159.01 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -43.66 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 63.11 145.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.84 145.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.34 -60.75 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.26 72.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 t30 178.92 49.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.726 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -115.79 116.17 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.737 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -59.81 148.14 76.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 104' ' ' ARG . 18.4 Cg_endo -75.0 49.24 2.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.06 ' CB ' HD21 ' A' ' 23' ' ' LEU . 30.4 m-85 -134.33 165.82 24.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.73 146.82 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.643 HD21 ' CG2' ' A' ' 11' ' ' VAL . 9.1 tt -94.8 156.47 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.62 136.55 36.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.643 ' CG2' HD21 ' A' ' 9' ' ' LEU . 41.9 t -132.59 110.34 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -101.93 144.28 30.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 55' ' ' ASP . 5.8 mp -103.01 152.98 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.83 -24.6 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -9.06 46.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 22.04 16.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.97 163.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -150.97 141.99 9.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.852 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -137.2 167.94 20.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.86 151.86 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 51' ' ' ILE . 80.4 m-85 -145.68 154.36 51.95 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.88 2.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.06 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -171.4 137.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 7.3 m-85 -106.64 142.97 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -58.57 114.07 2.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.14 -154.1 22.67 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.568 1.168 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.597 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m120 -72.28 132.67 44.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.71 157.67 39.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.67 HD23 HG23 ' A' ' 50' ' ' ILE . 5.7 tt -135.02 152.69 51.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.791 HD12 HG22 ' A' ' 62' ' ' ILE . 4.7 mt -128.02 146.95 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.23 147.18 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 60' ' ' GLY . 4.3 tp -132.95 134.74 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 80.36 -148.99 30.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -84.8 -7.47 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 61' ' ' ILE . 68.8 p -46.44 -30.13 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.556 HD13 HG21 ' A' ' 31' ' ' VAL . 3.4 tp -63.0 -37.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ARG . 18.8 mt-10 -79.13 -3.01 43.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -135.47 20.17 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' THR . 65.6 tp -79.18 164.76 23.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 35.8 mt-10 -129.22 166.87 18.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' HB3' ' CD1' ' A' ' 46' ' ' PHE . 2.3 m-85 -137.24 163.55 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.98 179.59 16.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -93.05 -54.64 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.03 8.65 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -123.35 34.54 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 47' ' ' PRO . 61.9 t80 -105.63 145.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 18.0 Cg_endo -75.04 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.183 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.8 p-10 -178.67 143.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.67 HG23 HD23 ' A' ' 29' ' ' LEU . 8.9 mt -113.49 148.16 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.63 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -136.82 110.3 9.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.599 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.08 159.35 41.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 55' ' ' ASP . 59.4 t -135.59 71.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 p -79.09 5.08 12.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.742 ' HB2' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -81.37 6.68 13.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.414 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.4 m -108.33 154.52 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -89.36 -13.32 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.461 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.25 -171.9 2.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -135.22 153.3 51.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HD23 ' A' ' 32' ' ' LEU . . . 164.08 -160.62 33.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.1 mp -152.29 156.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.791 HG22 HD12 ' A' ' 30' ' ' ILE . 8.0 mt -137.78 164.31 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 24.3 m-85 -126.1 141.48 51.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.899 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -150.06 122.63 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.899 ' N ' HD12 ' A' ' 64' ' ' LEU . 24.3 m -125.81 139.3 53.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 23' ' ' LEU . 1.2 pt -134.03 143.65 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -104.54 153.79 20.73 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 3.6 tttp -66.05 -11.01 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 4.8 m-20 -82.79 5.95 19.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 21.0 t-20 81.02 37.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 66' ' ' ILE . 17.7 mm -104.9 147.65 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.619 ' HA ' HG22 ' A' ' 66' ' ' ILE . 22.6 p -135.56 146.83 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.42 136.24 12.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.785 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 7.2 m-85 -120.13 164.68 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.564 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 14.7 m -169.09 152.73 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.43 156.03 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.74 -19.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -67.6 -6.26 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.47 24.57 58.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -117.83 126.09 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.564 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 3.6 pt20 -66.75 131.47 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' ILE . 9.5 mt -86.21 141.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -70.92 120.66 16.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -153.09 151.07 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.8 m120 -148.27 167.62 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.5 p -68.96 -11.02 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -51.5 67.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -118.54 -26.25 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.521 ' OD1' HD11 ' A' ' 84' ' ' ILE . 5.6 t30 34.17 44.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 t -148.04 173.71 12.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 36.7 p90 -174.35 176.52 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.67 144.35 37.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.27 146.83 6.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' CB ' ' A' ' 58' ' ' SER . 0.4 OUTLIER 62.2 26.19 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.13 -10.18 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.588 HG21 ' CG1' ' A' ' 11' ' ' VAL . 4.8 mm -88.9 157.82 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -120.2 95.43 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.028 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 78.5 m-85 -77.55 156.66 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 1.3 t60 -159.92 126.84 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -102.8 123.44 46.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 2.9 ttpt -125.42 146.17 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.66 ' ND2' ' CZ ' ' A' ' 7' ' ' PHE . 26.1 t-20 -102.11 116.06 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttt -179.58 109.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 174.84 104.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 41.12 81.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -40.6 113.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 tttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.22 174.25 10.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 55.75 33.84 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.96 118.03 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.866 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.86 166.11 26.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.75 3.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.9 m-85 -145.67 175.67 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.95 142.65 10.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -93.0 146.92 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.614 1.196 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -130.59 138.21 50.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 96' ' ' ILE . 34.4 t -136.65 119.62 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.371 1.044 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -123.16 139.82 53.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.8 mp -98.48 154.25 18.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -75.47 -19.67 59.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -68.5 -5.94 22.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.04 24.14 10.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.377 1.048 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.31 164.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -155.24 141.74 8.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.811 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -150.65 168.18 25.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.69 159.62 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 1.011 ' CE2' HD11 ' A' ' 51' ' ' ILE . 92.3 m-85 -142.52 153.75 62.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -74.94 144.65 30.72 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -112.34 136.02 52.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.761 ' N ' HD13 ' A' ' 23' ' ' LEU . 18.7 m-85 -118.38 156.85 28.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.866 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -84.37 120.45 26.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 66' ' ' ILE . . . 129.11 -155.32 20.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 64.2 m-80 -77.47 132.6 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.89 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-20 -135.02 157.22 47.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 28' ' ' ASN . 14.2 mt -128.07 148.53 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 64' ' ' LEU . 65.4 mt -123.71 104.93 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.941 HG22 HD11 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.43 144.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.836 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -131.99 107.73 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 101.48 -165.66 18.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.576 1.173 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -84.09 -0.24 51.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 61' ' ' ILE . 1.4 m -46.28 -24.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.578 ' HB ' HG11 ' A' ' 31' ' ' VAL . 6.1 tt -70.51 -40.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -58.82 -14.91 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.1 m -118.83 19.17 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.793 ' C ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.65 173.93 9.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 5.6 mt-10 -102.52 159.97 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -125.11 166.33 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.65 -53.82 4.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.09 -5.52 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD2' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -84.54 9.0 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -94.97 23.89 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -80.21 -48.54 1.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.01 163.09 36.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.56 1.821 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.67 -28.51 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.29 143.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HG2' ' A' ' 47' ' ' PRO . 2.5 mp -111.58 113.93 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.18 111.16 53.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -74.98 156.57 43.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.836 ' HB ' HD22 ' A' ' 32' ' ' LEU . 15.2 t -133.1 62.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 p -75.03 4.38 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.786 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.3 p30 -82.55 9.89 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -112.37 163.52 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 -5.87 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.06 154.29 27.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -99.09 176.74 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 133.34 169.8 12.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.941 HD11 HG22 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -126.57 160.99 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.425 0.721 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 23.8 mt -142.65 163.53 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 10.2 m-85 -122.41 143.64 49.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.83 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -150.39 114.92 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.801 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.5 m -120.76 140.78 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG23 ' H ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -134.39 143.79 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -104.53 150.45 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -63.6 -12.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -84.34 2.97 37.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.7 t-20 80.23 39.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 19.6 mm -111.27 104.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.44 149.6 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 108.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.65 131.76 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.722 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 5.9 m-85 -112.94 165.19 12.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.48 ' N ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -166.26 146.25 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -98.86 154.41 18.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 61' ' ' ILE . 1.6 tt0 -54.98 -17.35 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -8.16 28.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.02 24.91 42.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.424 1.077 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.0 tt0 -117.93 157.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.361 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -97.83 114.69 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 110.252 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 75' ' ' SER . 3.4 mt -67.76 140.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.03 121.47 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -152.29 146.59 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.5 OUTLIER -150.42 -171.59 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -80.61 -15.98 55.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -51.33 67.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 89' ' ' ASN . 50.0 m-85 -118.72 -25.67 6.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 88' ' ' PHE . 6.4 t-20 35.36 43.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.226 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 36.0 p -157.13 -177.53 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 20.2 p90 -176.87 176.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 136.2 23.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -155.9 147.8 23.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 32' ' ' LEU . 12.2 m-20 60.92 24.41 14.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.06 -26.82 9.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.514 ' CG2' HG13 ' A' ' 11' ' ' VAL . 4.6 mm -66.37 163.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.475 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -128.51 93.14 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.733 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 38.9 m-85 -79.19 153.82 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 7.4 t60 -159.2 116.67 2.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.674 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 9' ' ' LEU . 1.5 mm? -101.79 116.12 32.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -120.86 146.02 47.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -71.13 164.58 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.3 mmt -137.12 110.32 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.8 90.29 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -45.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t70 74.98 89.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -168.56 142.82 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 0.0 110.005 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.77 39.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.48 118.91 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.05 165.0 47.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.0 Cg_endo -75.11 52.96 3.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -145.59 175.24 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -158.25 147.09 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.94 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -99.75 147.1 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.04 141.97 42.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.706 HG11 HG13 ' A' ' 53' ' ' VAL . 60.6 t -136.93 110.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 9.7 ptmt -103.62 131.73 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -103.89 164.95 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.85 -19.71 52.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 3.6 m120 -69.5 7.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.07 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 68.1 20.0 72.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.723 ' HB ' HD21 ' A' ' 13' ' ' LEU . 58.8 t -103.85 169.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -153.35 135.55 4.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -117.82 123.48 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.14 115.03 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 51' ' ' ILE . 95.9 m-85 -103.39 156.59 35.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.18 20.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -106.61 133.41 51.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.742 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.69 156.19 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.859 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -85.03 117.54 24.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.517 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 133.65 -154.58 21.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.45 129.2 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' LEU . 80.6 m-20 -134.78 156.66 48.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.039 HD23 ' N ' ' A' ' 30' ' ' ILE . 6.6 tt -129.89 152.12 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.039 ' N ' HD23 ' A' ' 29' ' ' LEU . 9.6 mt -124.19 104.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 52' ' ' PRO . 1.2 t -72.96 150.05 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -131.86 116.81 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.52 -162.29 34.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLU . 77.8 mtt85 -84.86 2.44 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.877 HG21 HD11 ' A' ' 61' ' ' ILE . 99.5 m -44.89 -32.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 31' ' ' VAL . 3.8 tt -65.68 -42.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -57.8 -14.57 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.2 p -133.63 19.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 65.7 tp -86.61 166.91 15.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 41.7 mt-10 -126.18 164.31 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -134.69 163.59 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 -159.77 8.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.419 1.074 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -94.97 -49.5 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.54 9.93 29.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -118.24 43.89 2.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.545 ' CE2' ' O ' ' A' ' 47' ' ' PRO . 4.8 t80 -137.54 131.19 17.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' O ' ' CE2' ' A' ' 46' ' ' PHE . 18.2 Cg_endo -75.03 160.18 40.39 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -21.43 66.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.558 ' CG ' ' CG ' ' A' ' 24' ' ' TYR . 6.0 m120 -168.78 125.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 29' ' ' LEU . 2.9 tt -110.21 145.25 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.915 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -133.94 111.4 12.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.629 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 146.08 32.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.595 1.839 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.706 HG13 HG11 ' A' ' 11' ' ' VAL . 23.8 t -117.92 68.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 p -77.12 4.09 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -87.41 15.43 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.616 ' HA ' HD11 ' A' ' 96' ' ' ILE . 94.6 p -116.55 157.16 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 6.66 48.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.63 157.3 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -102.13 158.9 15.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 157.23 -167.14 33.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 35' ' ' THR . 1.8 mp -150.94 162.81 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 3.4 mt -150.03 162.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 12.7 m-85 -118.33 146.61 44.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' ASN . 2.9 tp -146.51 107.27 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 117.89 35.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -117.95 138.31 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -105.14 151.78 23.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.7 mtpt -61.62 -17.3 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 43.6 m-20 -80.8 2.64 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CE1' ' A' ' 7' ' ' PHE . 4.5 t-20 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.4 mp -108.69 107.12 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.76 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -144.14 110.0 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.2 m-85 -92.75 155.48 17.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -158.68 166.03 32.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 160.13 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -9.29 24.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -83.53 9.57 11.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.15 31.01 64.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.1 mt-10 -117.48 158.98 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -93.98 137.6 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 75' ' ' SER . 31.4 mt -104.66 130.92 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -86.33 120.5 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -120.0 136.04 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.582 1.177 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.534 ' O ' HD12 ' A' ' 84' ' ' ILE . 13.4 m120 -64.6 121.83 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -14.57 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.058 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.09 -17.37 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -22.21 9.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 43.14 47.34 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 p -155.96 164.15 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.0 p90 -154.59 175.2 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -135.52 147.41 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.04 144.38 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 56.28 23.38 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.37 -29.01 6.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.4 mp -65.62 163.1 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -127.66 113.71 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 53.7 m-85 -96.1 155.22 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.71 124.21 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.508 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.94 HD11 HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 146.49 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 10.6 p-10 -129.92 117.98 20.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.38 -74.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.13 177.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -171.18 99.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.29 -59.39 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -159.15 147.67 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -91.26 33.32 0.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -116.25 121.58 42.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.944 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -73.64 164.91 57.61 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.3 Cg_endo -74.98 48.99 2.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 24.0 m-85 -147.98 157.43 43.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -138.56 157.12 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -104.17 148.09 26.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -141.4 121.06 13.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' CG1' HG21 ' A' ' 96' ' ' ILE . 18.5 t -118.99 108.83 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.9 OUTLIER -107.51 138.84 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.74 HD12 HG23 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -97.07 156.84 16.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 95' ' ' GLY . 2.2 p -73.25 -20.24 60.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.0 -3.44 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.02 24.92 15.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -103.02 157.86 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -145.22 143.38 11.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.075 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -143.52 156.36 44.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.33 135.52 35.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.699 ' CG ' HD11 ' A' ' 51' ' ' ILE . 92.2 m-85 -129.16 154.97 80.57 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.99 143.12 28.72 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.063 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -116.55 128.91 55.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.063 ' N ' HD12 ' A' ' 23' ' ' LEU . 6.5 m-85 -113.6 143.59 44.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.944 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -66.63 125.4 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.11 -155.49 21.04 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.14 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.896 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.19 110.09 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' C ' HD23 ' A' ' 29' ' ' LEU . 25.8 m120 -118.17 115.52 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.5 mt -98.97 144.16 28.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.653 HG23 HG23 ' A' ' 51' ' ' ILE . 3.1 mm -109.53 108.39 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.634 HG21 ' HB ' ' A' ' 36' ' ' ILE . 1.1 t -72.07 146.21 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -131.91 125.4 31.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.83 -156.08 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.1 mmt85 -83.95 1.07 45.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.454 HG21 HD12 ' A' ' 61' ' ' ILE . 1.2 m -47.47 -25.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.634 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.0 tt -71.4 -38.56 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -66.91 -8.27 28.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 38' ' ' THR . 23.6 m -135.04 18.24 3.46 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 40' ' ' GLU . 57.7 tp -78.86 165.5 23.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.511 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.2 mm-40 -128.51 169.44 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -137.14 167.7 21.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.01 -170.87 12.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -94.99 -52.95 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -104.65 9.38 35.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.49 38.22 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -92.62 127.09 49.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.623 ' CG ' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo -74.97 162.79 36.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -22.04 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 174.97 135.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' CG ' ' A' ' 47' ' ' PRO . 41.7 mt -116.12 122.21 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.699 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -107.55 121.4 44.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.0 148.87 35.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 79.8 t -134.77 59.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 p -76.76 4.61 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.646 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -71.2 -3.89 22.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -104.51 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 5.56 50.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.2 m -120.48 148.81 43.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -102.65 156.31 17.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 156.41 -160.81 30.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -151.82 158.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 1.4 mt -139.23 160.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 77' ' ' GLU . 15.7 m-30 -115.02 138.41 50.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.816 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.59 96.2 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.896 HG23 ' HA ' ' A' ' 27' ' ' ASN . 4.8 m -109.9 126.95 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 72' ' ' CYS . 23.4 pt -127.13 142.32 43.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.613 1.196 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.494 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 28.5 t -97.23 163.49 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -13.21 61.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -82.29 7.47 13.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.525 ' C ' HD12 ' A' ' 71' ' ' ILE . 3.6 m120 74.11 41.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.53 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.6 mp -115.18 103.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.77 ' HA ' HG22 ' A' ' 66' ' ' ILE . 23.3 p -93.13 142.52 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.59 110.43 5.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.834 ' CG ' HG21 ' A' ' 84' ' ' ILE . 24.1 m-85 -91.51 156.33 17.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.57 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 3.8 m -168.5 161.44 11.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.064 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -102.39 155.96 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -56.39 -16.43 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -7.67 35.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.42 24.04 41.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 8.5 tt0 -117.45 135.73 53.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 0.779 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 1.2 pm0 -79.08 141.73 37.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.408 HD11 ' OD2' ' A' ' 76' ' ' ASP . 7.7 mt -111.44 144.34 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -95.84 120.42 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.834 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -109.65 134.83 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.663 ' O ' HD12 ' A' ' 84' ' ' ILE . 15.0 t-20 -55.67 131.58 46.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.69 -33.4 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -14.94 59.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.425 ' CB ' ' HB3' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -115.33 -24.56 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 9.5 m120 40.45 50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.7 p -159.77 169.36 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.8 p90 -158.72 175.8 13.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -162.33 145.67 11.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 60.75 20.54 10.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 14' ' ' THR . . . 91.8 -22.13 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.74 HG23 HD12 ' A' ' 13' ' ' LEU . 18.5 mm -71.03 161.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -125.54 92.97 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 64.9 m-85 -80.89 154.0 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -159.4 125.5 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.678 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 23' ' ' LEU . 2.2 mm? -100.49 105.62 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -80.43 144.44 32.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -133.4 163.07 30.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 ttp -141.22 162.37 35.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 145.2 48.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.83 174.45 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -102.24 -55.05 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.09 -169.24 3.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -93.4 61.86 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -115.27 116.78 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -55.22 144.21 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 44.19 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.005 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.9 m-85 -134.99 161.43 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' PRO . 5.2 tpt180 -137.17 145.01 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.073 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.02 146.35 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -129.25 141.19 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 96' ' ' ILE . 66.9 t -140.23 116.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HG2' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -112.96 144.22 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.2 mp -103.8 155.07 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.04 -26.24 59.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' HB3' HG23 ' A' ' 17' ' ' VAL . 10.8 t30 -68.34 -8.95 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.53 19.87 28.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.575 1.172 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.0 t -86.34 169.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.58 0.812 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -159.17 141.23 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -138.7 166.63 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.739 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 1.5 pm0 -143.05 145.62 33.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.554 ' CD2' HG12 ' A' ' 51' ' ' ILE . 10.2 m-85 -143.54 154.21 59.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 158.05 42.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 7' ' ' PHE . 3.2 pp -144.28 128.44 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.691 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 8.5 m-85 -96.26 143.5 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD2' ' HG3' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.45 117.21 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.66 -154.41 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.571 1.17 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.756 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.53 109.49 16.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -103.58 156.97 17.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' A' ' 63' ' ' TYR . 8.1 tt -134.36 153.89 51.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 51' ' ' ILE . 9.5 mt -126.36 146.56 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -110.45 146.8 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.14 124.53 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 91.73 -154.83 22.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLU . 4.9 ptt85 -83.81 -4.84 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 61' ' ' ILE . 2.3 m -45.31 -33.58 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 54' ' ' THR . 5.9 tp -60.63 -42.39 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -76.06 -3.27 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 38' ' ' THR . 85.4 m -128.16 17.35 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 53.8 tp -89.55 164.05 14.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 17.5 mp0 -123.91 167.96 13.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.085 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -137.04 163.7 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.08 -103.61 0.73 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -86.82 -5.94 58.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.27 9.79 42.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -87.51 45.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.545 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -48.4 -47.87 67.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.01 159.15 41.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.21 -19.76 19.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -145.28 115.77 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 47' ' ' PRO . 5.1 mt -108.88 120.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -118.22 109.93 40.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.561 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 159.94 40.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.656 ' HB ' HD22 ' A' ' 32' ' ' LEU . 91.4 t -133.89 70.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.632 HG22 HG21 ' A' ' 36' ' ' ILE . 10.8 p -77.54 4.54 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.888 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -85.08 11.38 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.598 ' OG ' HG12 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -116.75 152.83 33.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -91.46 -8.44 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 3.2 m -100.08 166.75 10.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -118.94 146.42 44.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.47 -167.65 36.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.4 1.062 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 35' ' ' THR . 1.2 mp -148.41 157.78 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 4.9 mt -137.84 164.26 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 29' ' ' LEU . 30.1 m-85 -122.97 144.22 49.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.68 103.14 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.756 HG23 ' HA ' ' A' ' 27' ' ' ASN . 48.5 m -108.26 133.34 52.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.42 144.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 17.8 t -103.02 166.43 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 11.1 tttm -77.02 -13.3 59.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.3 m-20 -80.74 5.67 15.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.3 t-20 80.26 44.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -114.54 147.01 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.665 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.8 p -136.05 149.47 48.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -158.16 116.47 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.964 ' CD1' HG21 ' A' ' 84' ' ' ILE . 62.7 m-85 -93.13 158.94 15.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -160.27 165.89 30.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.928 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -107.47 155.36 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -57.07 -16.21 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.23 -5.22 30.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.47 25.99 40.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.0 tt0 -117.12 160.9 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.41 135.53 36.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.401 ' CD1' ' C ' ' A' ' 75' ' ' SER . 8.0 mt -104.51 123.28 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.4 120.61 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.964 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -114.81 143.82 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.675 ' O ' HD12 ' A' ' 84' ' ' ILE . 7.6 m-80 -72.57 133.13 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -20.44 40.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -85.92 -17.33 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.3 m-85 -115.36 -23.04 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 79.2 m-20 40.07 43.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 p -154.73 163.81 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.003 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.615 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.6 p90 -156.61 174.25 15.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.23 143.78 50.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 54.0 t80 -168.55 137.93 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-20 58.21 22.46 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.7 -29.41 7.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.804 ' CG2' HG13 ' A' ' 11' ' ' VAL . 6.0 mm -69.1 160.12 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' HG2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -126.85 93.71 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.615 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 90.9 m-85 -71.32 158.09 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 101' ' ' LYS . 21.6 t60 -160.58 111.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.568 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.073 HD11 HD23 ' A' ' 9' ' ' LEU . 2.5 mm? -94.98 116.27 28.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . 9.3 tttm -112.59 146.53 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.613 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 11.8 p30 -117.24 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 ptp -156.44 122.89 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 76.32 136.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.08 -179.71 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.16 108.22 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.11 134.48 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -170.36 -149.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.796 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -41.67 116.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.742 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -76.99 169.18 22.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.22 2.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CE2' HD13 ' A' ' 66' ' ' ILE . 19.3 m-85 -107.23 173.11 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -169.79 114.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.032 HD21 ' HB2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.31 131.1 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 9' ' ' LEU . 26.6 mt -123.49 129.08 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.194 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.678 HG11 HG13 ' A' ' 53' ' ' VAL . 41.8 t -124.07 121.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 1.5 ptmt -109.64 145.45 36.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -103.57 158.22 16.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.95 -26.51 62.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.351 1.032 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -8.98 47.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.63 22.3 24.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.8 t -86.75 170.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 0.814 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.491 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -157.59 121.55 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -110.78 165.86 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.38 146.15 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 51' ' ' ILE . 68.5 m-85 -146.88 152.08 43.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.032 ' HB2' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -170.74 126.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.018 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.6 m-85 -107.01 142.38 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.742 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -59.47 117.01 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.83 -153.67 22.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.684 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.4 m120 -79.31 141.55 36.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -143.66 158.69 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 63' ' ' TYR . 17.8 mt -142.1 146.56 35.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 51' ' ' ILE . 12.5 mt -114.17 145.53 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -104.71 147.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.758 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -133.0 123.36 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.604 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.57 -155.23 51.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.7 mtt85 -83.24 1.86 38.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.689 HG21 HG12 ' A' ' 61' ' ' ILE . 87.8 m -47.86 -22.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.489 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.613 ' HB ' HG21 ' A' ' 31' ' ' VAL . 1.5 tt -77.24 -39.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -55.29 -17.73 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.35 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.5 p -128.33 19.13 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD21 ' CE1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -51.45 176.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -121.66 174.93 6.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.734 ' CE1' HD21 ' A' ' 39' ' ' LEU . 13.7 m-85 -137.26 170.08 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.42 165.04 28.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.3 -24.21 54.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -109.56 9.31 25.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.92 43.3 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.93 99.48 52.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -74.99 155.44 42.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.579 1.831 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.4 tp10 -69.39 -21.37 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' HB3' HD21 ' A' ' 28' ' ' ASN . 56.1 t30 -172.44 135.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.572 HD12 ' CG ' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -117.59 146.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -142.28 110.32 5.89 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.593 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.3 36.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.761 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' HD22 ' A' ' 32' ' ' LEU . 57.7 t -134.79 49.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.16 3.99 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.918 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -67.73 -6.78 22.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 t -92.8 176.04 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -97.68 -3.11 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.38 169.41 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 4.2 m-20 -115.54 176.88 4.88 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 143.41 -177.15 22.43 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.689 HG12 HG21 ' A' ' 35' ' ' THR . 16.1 mm -143.0 128.76 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CG2' HD12 ' A' ' 30' ' ' ILE . 8.4 mt -112.38 165.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.827 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.9 m-85 -128.71 142.44 51.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -147.62 119.21 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.798 ' N ' HD12 ' A' ' 64' ' ' LEU . 81.9 m -123.84 135.66 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 23' ' ' LEU . 1.1 pt -134.24 108.94 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t -69.33 163.88 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 4.0 tttm -65.83 -21.42 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.3 OUTLIER -76.76 -0.02 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.4 t30 77.43 45.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.4 mp -114.9 103.52 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 66' ' ' ILE . 14.1 p -86.57 155.37 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 108.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.679 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 6.7 m-85 -92.78 164.21 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 135.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.71 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -84.34 154.51 22.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 1.4 pt-20 -55.27 -17.7 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -69.2 -6.93 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.77 27.65 37.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 1.8 tt0 -117.04 118.01 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.36 115.71 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.71 HD11 ' OD2' ' A' ' 76' ' ' ASP . 3.5 mt -75.65 131.56 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -77.26 121.68 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -145.24 151.3 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 1.5 t-20 -149.73 -178.39 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.5 m -77.92 -8.28 57.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.2 -51.31 66.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.95 -25.84 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-20 34.98 50.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -165.39 174.31 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 22.5 p90 -171.8 174.53 4.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 7.2 tt0 -130.79 143.95 51.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -164.01 135.79 4.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 59.17 21.09 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.21 -33.17 5.42 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.419 1.074 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.9 mp -67.96 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -125.79 133.9 51.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 7.9 m-85 -111.56 155.31 23.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CD2' HD12 ' A' ' 10' ' ' LEU . 5.5 t60 -152.88 114.53 4.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -98.45 104.08 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HG3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -88.25 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -133.66 164.06 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 6' ' ' PRO . 9.5 ttm -114.11 -67.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 174.71 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.88 123.79 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -159.78 -47.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.576 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 39.5 p -136.33 137.24 40.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.576 ' ND2' ' O ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 81.25 148.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -117.65 120.87 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.68 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.58 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.1 Cg_endo -75.0 20.32 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.536 1.809 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 7.0 m-30 -114.99 164.09 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 71.6 mtm180 -148.96 145.89 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.035 HD23 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -99.23 144.75 28.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -134.23 136.1 43.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 98' ' ' PHE . 56.2 t -130.77 110.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -110.41 143.89 40.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.892 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.1 mp -103.2 157.43 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -74.62 -20.0 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -5.97 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.97 25.3 9.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -101.79 162.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -153.17 117.63 0.82 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.741 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 m-20 -118.62 168.4 10.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -147.43 141.56 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' HE2' HG21 ' A' ' 11' ' ' VAL . 38.6 m-85 -128.2 153.65 78.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.008 ' HB2' HD21 ' A' ' 4' ' ' LEU . 18.0 Cg_endo -75.08 144.51 30.09 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -117.6 131.7 56.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.852 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.8 m-85 -116.99 163.2 16.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -85.88 123.04 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.948 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.75 -155.34 22.6 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.925 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.46 106.48 14.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' LEU . 76.4 m-20 -100.29 157.74 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 62' ' ' ILE . 44.7 tp -139.06 152.97 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.9 mp -132.58 124.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.551 HG22 ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.5 119.0 55.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -111.48 96.85 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 121.5 -158.65 16.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.33 -1.72 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.846 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p -45.81 -40.92 10.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 52' ' ' PRO . 4.0 tt -63.06 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.12 -14.28 16.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.4 p -133.85 20.77 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.81 176.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -128.94 176.86 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.699 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 40.3 m-85 -136.82 170.8 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -169.45 38.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -93.51 -45.02 7.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.1 9.29 38.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.82 42.41 2.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -114.69 102.72 54.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.708 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.97 163.51 35.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 -41.55 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -160.05 124.72 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.708 HD11 ' HG2' ' A' ' 47' ' ' PRO . 3.9 mt -101.25 141.4 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.604 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -126.97 107.48 22.08 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 165.89 30.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.5 t -135.33 77.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -77.0 3.4 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.892 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.4 p-10 -90.19 16.05 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.574 ' CB ' HD21 ' A' ' 32' ' ' LEU . 24.8 t -125.59 150.64 47.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -9.13 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.16 176.92 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -122.19 164.74 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 143.96 176.77 18.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.846 HD11 ' HB ' ' A' ' 35' ' ' THR . 27.8 mt -146.57 157.73 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.738 ' O ' HD12 ' A' ' 29' ' ' LEU . 82.3 mt -145.38 139.69 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.22 145.41 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 30' ' ' ILE . 4.4 tp -149.61 120.82 7.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.925 HG23 ' HA ' ' A' ' 27' ' ' ASN . 3.7 m -123.4 122.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.924 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.7 pt -117.11 126.44 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.82 147.23 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.16 -16.99 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -76.08 -0.33 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.647 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.8 t-20 80.4 39.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.5 mp -115.86 103.83 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.77 129.54 23.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.85 ' CE1' HD13 ' A' ' 84' ' ' ILE . 24.5 m-85 -104.46 163.71 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -164.65 154.5 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.998 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -13.48 10.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -73.53 -1.73 19.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.88 26.64 52.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -117.78 162.37 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 0.718 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.55 131.73 39.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.616 1.197 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' SER . 13.5 mt -89.05 137.1 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.58 120.62 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.85 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -151.08 148.17 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' N ' HG13 ' A' ' 84' ' ' ILE . 36.9 m-80 -131.22 152.82 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -65.04 -11.23 36.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.951 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.46 -51.8 68.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.32 -26.58 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.5 p30 36.86 57.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -165.25 171.32 13.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 21.7 p90 -179.32 169.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.2 tt0 -107.15 152.22 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -168.16 139.49 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 56.61 20.79 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -31.53 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.718 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.28 165.44 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.411 0.712 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.523 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -128.28 104.1 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 96' ' ' ILE . 58.7 m-85 -95.57 154.85 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.02 117.32 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.035 HD21 HD23 ' A' ' 9' ' ' LEU . 8.8 mp -103.39 103.95 13.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.12 143.03 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 11.5 p-10 -135.17 147.43 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 104' ' ' ARG . 3.5 ttt -111.85 -95.2 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.1 tmt_? 177.49 -66.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 104' ' ' ARG . 23.2 tt0 -36.78 97.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ARG . 4.6 p-10 -96.24 122.42 39.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -166.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -101.71 95.32 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.95 117.58 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.813 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -61.77 166.13 6.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.3 Cg_endo -74.92 49.48 2.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.737 ' HB3' HD23 ' A' ' 23' ' ' LEU . 34.2 m-85 -147.97 164.47 33.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -147.78 146.13 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD13 HG21 ' A' ' 51' ' ' ILE . 7.1 tt -95.53 154.91 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -143.45 146.33 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -139.21 125.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -113.41 141.51 46.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.3 mp -104.57 155.78 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -24.72 63.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -68.15 -8.72 40.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.08 22.28 25.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.605 1.191 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 18' ' ' GLY . 7.8 t -91.61 167.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -158.12 112.56 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.955 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -107.47 159.58 16.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 127.44 37.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.908 ' CD2' HD11 ' A' ' 51' ' ' ILE . 89.4 m-85 -113.4 158.91 37.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.605 1.191 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 142.59 28.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -120.74 126.8 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.059 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.3 m-85 -111.93 152.35 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.813 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -77.16 123.46 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.52 -154.57 21.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.918 ' HA ' HG23 ' A' ' 65' ' ' THR . 1.1 m-20 -83.52 107.82 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -105.76 156.92 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD13 ' HG3' ' A' ' 47' ' ' PRO . 9.6 tt -136.36 151.14 49.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.526 HD12 HG22 ' A' ' 62' ' ' ILE . 4.0 mt -120.52 146.1 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.665 HG21 ' HB ' ' A' ' 36' ' ' ILE . 1.2 t -113.64 146.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.82 125.02 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.618 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 77.57 -157.97 46.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -83.53 1.65 40.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 m -45.41 -25.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.665 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.9 tt -79.98 -41.14 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ARG . 34.4 mt-10 -60.98 -29.47 69.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 38' ' ' THR . 21.9 m -98.48 2.06 47.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 4.0 mt -99.2 175.77 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.32 175.78 6.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -136.55 169.66 17.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.72 -107.39 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -61.15 -15.62 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.68 10.08 36.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.87 46.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -44.87 -49.04 29.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 50' ' ' ILE . 18.4 Cg_endo -74.94 151.83 40.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -19.22 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -143.05 118.88 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -112.41 123.18 67.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.908 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -121.73 110.04 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.556 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -75.01 159.4 41.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 10.9 t -135.04 62.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -75.21 3.36 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.86 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.0 p30 -87.04 12.32 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.65 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.2 m -101.21 167.51 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.77 -2.61 40.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.07 -179.28 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.618 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -116.64 168.67 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 153.07 -177.97 30.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.639 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.1 mm -140.77 137.69 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 30' ' ' ILE . 22.3 mt -123.66 165.05 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 30.2 m-85 -129.48 144.23 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.053 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -149.29 113.07 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 27' ' ' ASN . 40.3 m -119.46 131.2 55.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.832 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.5 pt -128.21 144.7 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -102.47 150.65 23.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.4 mtmp? -65.21 -10.64 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 33.4 m-20 -82.75 8.37 12.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.1 t-20 80.06 44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.2 mp -115.34 142.94 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.621 ' HA ' HG22 ' A' ' 66' ' ' ILE . 4.3 p -134.98 137.85 43.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.43 138.41 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.053 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 11.2 m-85 -121.15 164.36 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 4.9 t -168.14 151.08 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -94.31 154.68 17.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.72 -16.69 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -67.45 -7.53 26.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.36 22.28 54.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 128.97 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -70.89 136.12 48.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 84' ' ' ILE . 8.3 mt -92.33 133.3 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -70.9 120.75 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.689 HD11 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -149.1 152.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' HG13 ' A' ' 84' ' ' ILE . 8.4 m-20 -149.36 -178.76 6.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -80.5 -5.76 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.93 -51.71 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -119.34 -26.32 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.689 ' OD1' HD11 ' A' ' 84' ' ' ILE . 14.5 t-20 33.95 53.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.9 p -161.21 173.37 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 10.9 p90 -168.76 169.25 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.72 137.54 54.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 2.2 t80 -168.09 129.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 71.74 19.13 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 -26.47 8.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' ' CZ ' ' A' ' 98' ' ' PHE . 30.2 pt -78.05 162.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.646 ' O ' ' CE1' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -126.33 120.89 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 40.8 m-85 -95.96 154.04 17.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.646 ' CE1' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -159.99 132.1 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.99 111.14 22.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -126.24 146.7 49.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -47.41 161.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.8 ttt -78.53 152.57 31.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 146.92 23.27 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.66 -52.94 2.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -147.27 70.83 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.75 ' OD1' HD23 ' A' ' 4' ' ' LEU . 3.0 t-20 178.11 -165.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.75 HD23 ' OD1' ' A' ' 3' ' ' ASN . 1.4 pp -40.47 124.67 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.138 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -56.68 173.05 0.32 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.93 50.75 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.573 ' CE2' ' CG ' ' A' ' 102' ' ' ASN . 6.6 m-85 -117.1 174.76 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mpp_? -170.03 141.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.723 HD12 HD21 ' A' ' 100' ' ' LEU . 6.7 tt -92.13 156.44 17.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.58 143.7 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG2' HD21 ' A' ' 9' ' ' LEU . 7.0 t -139.45 115.63 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.99 141.36 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.4 mp -104.09 153.59 20.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.04 64.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -14.01 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.71 22.44 9.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.5 t -91.52 166.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.27 124.83 1.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.11 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.879 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -119.11 166.38 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -145.76 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 51' ' ' ILE . 22.1 m-85 -146.64 158.71 45.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 8' ' ' ARG . 18.1 Cg_endo -75.1 135.71 19.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.984 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -107.86 124.04 49.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.984 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.8 m-85 -100.59 142.6 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 1.138 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -75.14 113.64 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.8 -154.8 23.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -70.84 105.35 3.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.8 m-20 -104.29 156.43 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 50' ' ' ILE . 11.6 tp -136.81 153.61 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.5 mp -131.87 150.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG11 ' HA ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -119.49 153.2 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD21 ' OD2' ' A' ' 94' ' ' ASP . 21.4 tp -132.73 140.61 48.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 69.23 -151.09 50.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -83.93 -3.97 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.625 ' CG2' HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -50.35 -21.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 ' HA ' HG11 ' A' ' 31' ' ' VAL . 2.4 tp -65.75 -28.16 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -3.06 58.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 38' ' ' THR . 0.6 OUTLIER -136.85 19.83 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.595 1.184 . . . . 0.0 110.413 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD12 ' H ' ' A' ' 40' ' ' GLU . 42.6 tp -75.66 164.17 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' H ' HD12 ' A' ' 39' ' ' LEU . 10.2 mt-10 -129.46 169.47 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -137.26 164.95 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.11 169.09 12.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -84.44 -53.73 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.33 9.06 42.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -122.36 35.14 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.39 121.33 78.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.608 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.08 163.14 35.74 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -20.95 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 24' ' ' TYR . 3.5 t30 175.11 138.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 29' ' ' LEU . 2.5 mt -112.41 133.32 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -119.27 110.53 37.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.592 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 157.97 42.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.415 1.745 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.451 HG13 HG11 ' A' ' 11' ' ' VAL . 61.1 t -132.72 70.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.616 ' CG2' HG21 ' A' ' 36' ' ' ILE . 70.7 p -78.06 4.17 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.713 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.2 p30 -88.43 16.71 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.46 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -107.0 164.96 11.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.66 -10.61 28.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 m -118.31 -174.92 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.58 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -129.91 157.95 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 159.85 -161.27 32.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -150.03 156.35 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 mt -141.48 153.54 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 29' ' ' LEU . 7.6 m-85 -115.71 146.14 42.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD11 ' CG2' ' A' ' 66' ' ' ILE . 3.9 tp -147.25 117.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.538 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -117.61 112.34 20.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.792 HD13 HD11 ' A' ' 23' ' ' LEU . 5.2 pt -116.8 134.8 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -103.1 149.4 24.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.9 mttt -62.8 -12.32 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -81.09 3.28 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 81.07 33.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 17.9 mm -105.92 103.05 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -92.52 133.85 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -140.77 140.71 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 1.044 ' CE1' HD13 ' A' ' 84' ' ' ILE . 6.8 m-85 -121.31 163.92 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -165.75 164.33 18.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.8 154.37 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -63.83 -11.63 28.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -74.81 -1.5 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.97 27.36 37.91 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -117.47 161.32 19.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -92.24 160.73 15.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 75' ' ' SER . 52.3 mt -136.48 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.53 122.36 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.044 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -114.97 154.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.35 119.5 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -6.35 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -19.01 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.08 -25.02 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.3 m120 38.39 49.89 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -156.66 161.49 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 17.2 p90 -151.34 176.27 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 14.8 tt0 -139.3 145.55 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.423 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 5.3 t80 -168.26 147.35 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.951 ' OD2' HD21 ' A' ' 32' ' ' LEU . 25.1 m-20 58.71 21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.25 -27.52 6.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.1 mp -72.09 162.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.482 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -120.55 141.11 50.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 m-85 -122.16 152.15 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.09 125.28 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 9' ' ' LEU . 10.8 mt -102.09 104.82 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.213 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 146.16 29.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' CG ' ' CE2' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -125.62 163.81 21.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 ttt -38.65 -67.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -165.77 -44.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 67.53 104.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -101.48 109.21 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -51.41 171.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -119.65 61.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -113.95 117.1 30.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.829 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -63.9 165.72 12.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.96 49.87 2.36 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -132.1 175.65 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -170.78 135.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -91.89 149.04 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 9' ' ' LEU . 6.5 mp -139.59 116.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.739 HG11 HG13 ' A' ' 53' ' ' VAL . 2.6 t -109.86 108.89 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -117.09 135.58 53.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -94.13 170.88 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -79.92 -19.57 47.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.26 -6.23 33.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.02 24.85 7.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 2.2 t -97.22 152.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.636 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -162.48 103.04 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.385 1.053 . . . . 0.0 111.057 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.81 168.32 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE2' ' CZ ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -141.52 135.67 30.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 51' ' ' ILE . 18.9 m-85 -126.06 160.16 58.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -75.01 157.92 42.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -137.91 126.04 22.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.037 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -105.82 142.73 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.829 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.73 117.5 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.05 -154.6 22.88 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.559 1.162 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 65' ' ' THR . 24.2 m-80 -74.53 125.84 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.776 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -128.62 157.69 40.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 28' ' ' ASN . 6.8 mp -137.54 150.9 47.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 51' ' ' ILE . 36.4 mt -124.29 107.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.794 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.44 149.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.04 126.9 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 68.68 -155.5 53.41 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' GLU . 11.7 ptt180 -83.55 2.24 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.735 HG21 HG12 ' A' ' 61' ' ' ILE . 50.6 m -45.82 -29.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.717 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.4 tt -68.9 -40.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ARG . 5.4 mt-10 -59.59 -14.79 14.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 t -133.95 19.64 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 40' ' ' GLU . 58.4 tp -84.03 165.24 18.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.387 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.531 ' H ' HD12 ' A' ' 39' ' ' LEU . 34.2 mt-10 -124.31 166.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -135.74 163.76 29.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.87 164.35 15.01 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -90.97 -20.96 21.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 109.275 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.68 9.41 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.3 25.31 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.31 112.05 3.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.719 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.99 162.64 36.81 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.409 1.742 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.67 -27.13 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -179.1 134.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 47' ' ' PRO . 8.3 mt -115.57 145.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -137.94 111.13 8.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.613 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.93 154.39 42.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.739 HG13 HG11 ' A' ' 11' ' ' VAL . 12.1 t -132.94 71.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.8 p -80.55 4.99 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.889 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.5 p30 -84.77 10.63 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 57.5 p -107.16 139.29 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -9.25 51.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 m -117.25 -177.63 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.599 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -131.68 158.4 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 162.19 -165.75 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.794 ' CD1' HG22 ' A' ' 31' ' ' VAL . 21.9 mm -141.38 157.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 2.7 mt -141.72 164.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 21.6 m-85 -126.31 140.45 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.5 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' HA ' ' A' ' 27' ' ' ASN . 54.9 m -121.22 134.65 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 23' ' ' LEU . 33.4 pt -134.56 126.0 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 13.6 t -86.18 163.23 17.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -19.71 64.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.5 m-20 -76.0 -0.03 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.691 ' C ' HD12 ' A' ' 71' ' ' ILE . 28.9 t-20 79.26 42.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -115.43 103.75 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.627 1.204 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HG22 ' A' ' 66' ' ' ILE . 31.7 p -92.46 155.2 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -158.75 113.86 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.835 ' CG ' HG21 ' A' ' 84' ' ' ILE . 9.1 m-85 -92.91 157.35 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.78 159.6 24.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.517 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.56 157.54 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -15.66 12.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -71.2 -5.46 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.89 25.83 39.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.4 tp10 -117.56 148.09 42.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.74 150.28 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 76' ' ' ASP . 29.0 mt -122.27 134.47 65.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -90.79 120.74 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.835 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -112.51 143.01 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.3 t-20 -65.76 120.7 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -75.47 -16.2 60.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -89.78 -16.46 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -22.52 9.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 89' ' ' ASN . 3.0 p-10 40.8 47.11 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 p -160.62 164.64 31.69 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 9.3 p90 -157.01 175.82 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.26 127.02 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.6 148.55 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 53.76 26.45 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.48 -18.85 31.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.574 1.172 . . . . 0.0 111.036 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.428 HG21 ' CG1' ' A' ' 11' ' ' VAL . 8.5 mm -69.97 155.76 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.09 90.56 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.084 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 52.6 m-85 -80.26 151.45 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -159.86 113.33 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 9' ' ' LEU . 5.2 mp -105.92 106.13 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.6 146.56 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 29.3 p-10 -127.84 161.4 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 131.89 22.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 97.08 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.33 135.71 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 61.33 149.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.63 -178.67 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 12.7 p-10 -105.62 61.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.937 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -115.61 115.15 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.857 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -58.36 146.18 72.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 45.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.041 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.1 m-85 -124.29 160.37 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -133.15 155.46 49.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.88 HD13 ' N ' ' A' ' 10' ' ' LEU . 1.6 tm? -114.73 155.01 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.88 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.3 mp -140.79 139.8 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 9' ' ' LEU . 49.1 t -134.46 107.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 17.6 pttp -95.89 140.12 31.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.879 HD21 ' HB3' ' A' ' 55' ' ' ASP . 7.1 mp -104.11 152.3 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.7 -24.93 59.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.59 -8.3 46.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.62 19.77 28.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.4 t -91.4 169.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.17 119.77 0.9 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -111.33 168.55 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -137.61 140.44 40.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.679 ' CG ' HD11 ' A' ' 51' ' ' ILE . 89.5 m-85 -140.14 153.3 69.02 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.66 2.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.041 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -165.38 140.76 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.937 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.9 m-85 -110.64 143.98 40.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.395 1.059 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.99 113.1 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 139.84 -155.39 24.3 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -68.63 122.81 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 1.006 ' O ' HD23 ' A' ' 29' ' ' LEU . 3.6 m-20 -121.24 157.56 30.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 28' ' ' ASN . 23.3 mt -140.91 149.77 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -125.7 133.54 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.679 HG11 ' CA ' ' A' ' 36' ' ' ILE . 1.4 t -98.54 134.24 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -113.94 119.48 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 90.37 -157.69 25.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -3.99 57.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.71 ' HB ' HD11 ' A' ' 61' ' ' ILE . 3.5 p -45.97 -31.31 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' CA ' HG11 ' A' ' 31' ' ' VAL . 2.1 tp -57.13 -35.11 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.12 -8.51 31.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 t -138.49 11.07 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.463 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.887 HD22 ' H ' ' A' ' 40' ' ' GLU . 1.2 tm? -58.57 152.67 17.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.887 ' H ' HD22 ' A' ' 39' ' ' LEU . 4.0 mt-10 -129.39 148.43 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -114.76 157.01 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.24 164.05 29.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -84.43 -54.04 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.09 9.22 38.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -123.31 25.29 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 46' ' ' PHE . 18.8 p90 -56.61 124.4 62.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.595 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -74.93 162.24 37.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -23.66 47.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.606 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 48.6 t30 177.67 136.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 47' ' ' PRO . 29.8 mt -117.05 124.32 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.1 109.58 56.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.554 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 162.43 37.17 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' VAL . 7.9 t -134.55 83.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.6 p -81.36 4.95 18.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.879 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.56 16.47 18.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.598 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . 1.5 t -102.94 129.1 49.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -73.04 -9.2 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.75 -164.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 11.1 m-20 -134.23 163.9 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.52 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 147.9 -178.14 25.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.71 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mp -143.06 154.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 63' ' ' TYR . 75.4 mt -139.64 167.54 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.83 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.8 m-85 -130.57 143.21 50.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 30' ' ' ILE . 3.5 tp -141.37 125.14 16.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 64' ' ' LEU . 1.3 p -113.12 115.9 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -119.6 112.76 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.28 152.43 21.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -64.7 -11.76 39.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.34 14.23 6.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 3.8 m-80 67.8 43.07 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -111.91 104.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.13 138.88 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.5 mt-30 -147.81 146.92 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.86 ' CD1' HG21 ' A' ' 84' ' ' ILE . 9.7 m-85 -127.11 162.71 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -175.12 137.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.544 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -76.36 157.52 32.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -59.51 -14.82 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -3.94 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.68 27.34 38.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mm-40 -117.49 134.52 54.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -76.48 139.83 40.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.544 HD11 ' N ' ' A' ' 76' ' ' ASP . 3.1 mt -112.59 128.68 69.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.078 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.96 120.14 22.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.86 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.81 142.1 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -71.01 111.17 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.0 p -70.25 -5.82 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -96.09 -20.08 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.36 -23.7 8.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 43.54 43.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.61 145.66 23.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.997 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' CD1' ' A' ' 98' ' ' PHE . 25.6 p90 -139.31 175.27 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -134.35 144.47 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.37 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -168.39 147.93 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.558 ' OD2' HD12 ' A' ' 32' ' ' LEU . 36.0 m-20 55.54 21.94 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.3 6.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 1.7 mp -76.43 159.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.484 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -124.76 143.97 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 15.8 m-85 -123.9 153.79 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -152.75 121.98 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.87 ' CD2' HD23 ' A' ' 9' ' ' LEU . 7.5 mt -109.31 118.55 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.73 146.62 52.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 19.0 p-10 -81.39 117.54 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -120.01 132.46 55.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.232 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -154.14 91.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.84 97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -40.9 115.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -132.22 50.95 2.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.932 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -113.81 116.6 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.09 153.18 25.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 43.46 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.062 ' CB ' HD21 ' A' ' 23' ' ' LEU . 11.3 m-85 -132.05 166.3 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.51 146.57 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.9 OUTLIER -92.42 149.4 21.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -135.7 136.77 41.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 53' ' ' VAL . 87.1 t -136.01 107.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.98 132.9 51.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -104.72 166.93 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.534 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -63.0 -19.42 64.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.683 ' HB2' HD12 ' A' ' 13' ' ' LEU . 2.1 m-20 -70.7 9.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.65 22.13 73.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.655 ' CG1' HD21 ' A' ' 13' ' ' LEU . 39.7 t -102.61 166.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -157.27 129.1 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.4 139.61 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 7.5 pt-20 -120.01 130.57 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 51' ' ' ILE . 10.3 m-85 -128.41 156.52 76.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.609 ' HB2' HD11 ' A' ' 4' ' ' LEU . 18.2 Cg_endo -74.95 168.79 24.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.062 HD21 ' CB ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -150.5 139.27 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 4.8 m-85 -111.2 143.9 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -62.3 113.71 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.86 -153.78 23.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.889 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.5 m-80 -73.08 131.49 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 0.808 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -133.63 158.08 44.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD11 ' CG2' ' A' ' 61' ' ' ILE . 2.7 tt -140.14 152.89 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.698 HD12 HG22 ' A' ' 62' ' ' ILE . 5.9 mt -124.32 127.4 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 36' ' ' ILE . 1.5 t -90.97 112.04 24.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -101.33 119.57 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.61 -162.76 16.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.0 ptp180 -82.95 -2.82 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' HD11 ' A' ' 61' ' ' ILE . 4.2 p -46.52 -31.9 3.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.53 HD13 HG21 ' A' ' 31' ' ' VAL . 5.3 tp -57.26 -39.17 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.93 -3.62 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.0 m -127.9 14.28 6.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 41.7 tp -89.0 162.92 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 6.1 mp0 -129.44 157.74 41.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -125.15 162.77 23.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.3 -101.57 1.0 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -78.87 -7.43 57.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -104.83 10.79 34.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -82.64 46.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -55.26 -46.94 99.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -75.01 154.54 42.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.409 1.741 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.6 tt0 -81.12 -21.18 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 24' ' ' TYR . 9.3 t-20 -161.33 129.68 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.366 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' A' ' 47' ' ' PRO . 53.9 mt -111.3 146.32 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.788 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -141.77 110.8 6.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.628 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 158.57 42.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.855 ' CG1' HG11 ' A' ' 11' ' ' VAL . 3.3 t -133.85 84.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.6 p -80.33 4.63 17.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.941 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.93 16.66 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 32' ' ' LEU . 2.8 t -127.13 150.34 49.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.96 -7.61 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.206 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.43 169.72 11.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -127.34 142.85 51.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.728 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 156.01 -160.51 30.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.574 1.171 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.728 HD12 ' C ' ' A' ' 60' ' ' GLY . 2.3 mp -156.02 121.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.233 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 30' ' ' ILE . 3.3 mt -96.11 163.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE1' HD12 ' A' ' 29' ' ' LEU . 53.6 m-85 -122.02 142.95 49.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -149.32 116.55 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.889 HG23 ' HA ' ' A' ' 27' ' ' ASN . 34.4 m -120.87 132.32 54.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.449 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.6 mt -128.26 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -105.0 163.8 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -68.68 -19.89 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 37.0 m-20 -78.45 2.1 20.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.8 t30 77.8 42.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.5 mp -115.04 103.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.7 153.5 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -154.88 114.76 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 84' ' ' ILE . 24.9 m-85 -93.7 157.68 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.427 ' OG ' ' C ' ' A' ' 80' ' ' GLU . 3.3 t -165.34 154.96 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.607 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.36 158.91 15.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.4 -17.42 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -6.71 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 23.2 57.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 6.3 tt0 -117.91 131.58 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.1 pt20 -75.56 132.81 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 76' ' ' ASP . 12.1 mt -97.74 113.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -67.1 120.57 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.969 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.78 138.53 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 88' ' ' PHE . 12.4 p30 -81.28 111.46 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 78.2 p -60.42 -25.82 66.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -23.08 66.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -116.36 -23.31 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ASN . 41.0 m-20 45.32 38.71 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 p -155.16 151.6 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 5.0 p90 -143.14 175.01 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -133.06 146.22 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -168.64 142.6 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.44 22.61 9.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.8 -27.56 7.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.653 ' CG2' HG13 ' A' ' 11' ' ' VAL . 10.3 mm -67.73 159.28 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -123.23 103.34 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.959 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 72.7 m-85 -84.7 157.0 21.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.416 ' NE2' ' CG ' ' A' ' 101' ' ' LYS . 14.8 t60 -160.45 119.41 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 9' ' ' LEU . 2.4 mm? -101.13 104.89 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' CG ' ' NE2' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -85.76 146.3 26.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 21.7 p-10 -125.46 161.64 26.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.388 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtm -128.57 -43.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtm105 60.81 122.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.2 122.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -60.13 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.623 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.4 165.0 32.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.1 Cg_endo -75.0 50.56 2.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 22.4 m-85 -141.7 162.01 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.495 ' HD2' HD11 ' A' ' 10' ' ' LEU . 5.5 ptp180 -150.54 152.74 34.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -102.66 144.99 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 HD11 ' HD2' ' A' ' 8' ' ' ARG . 4.7 mp -136.12 114.88 12.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 55' ' ' ASP . 51.0 t -107.74 110.73 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.28 133.11 53.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' A' ' 55' ' ' ASP . 6.2 mp -101.12 153.57 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -73.2 -21.54 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -68.29 -7.08 27.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.74 23.75 9.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.98 163.21 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -167.11 128.65 1.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.7 167.47 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -137.21 132.65 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 51' ' ' ILE . 92.9 m-85 -118.28 156.29 50.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.39 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -132.2 132.53 43.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.0 m-85 -119.07 149.92 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.796 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -73.02 120.18 18.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.2 -153.67 23.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.445 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.51 107.5 15.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -98.0 157.66 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 50' ' ' ILE . 7.3 tt -139.52 152.71 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 62' ' ' ILE . 4.1 mt -129.08 145.65 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -115.11 138.63 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -129.55 115.84 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 103.69 -156.53 17.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -83.47 -3.16 57.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.608 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.611 ' HG2' HD11 ' A' ' 50' ' ' ILE . 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 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.31 -19.83 18.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -148.45 120.25 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.915 HG12 HD22 ' A' ' 29' ' ' LEU . 14.5 mt -111.66 112.76 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -107.92 109.42 62.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.555 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 164.02 34.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' VAL . 19.0 t -133.16 76.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.8 p -78.06 4.01 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.732 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -92.72 16.32 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 32' ' ' LEU . 46.2 p -120.87 145.54 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -6.95 47.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 176.14 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 2.0 m-20 -117.71 167.4 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.66 172.36 12.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ILE . 3.1 mp -140.71 138.39 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.675 HG22 HD12 ' A' ' 30' ' ' ILE . 10.9 mt -113.96 163.63 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.482 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 79.5 m-85 -130.49 141.61 50.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -149.04 125.88 11.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.0 m -123.77 135.62 53.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.912 ' CD1' HD11 ' A' ' 23' ' ' LEU . 28.0 pt -129.41 139.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -103.93 152.18 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.71 -15.98 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -81.94 4.55 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 71' ' ' ILE . 7.9 m-80 74.9 41.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -115.07 104.65 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.438 ' CB ' HG22 ' A' ' 66' ' ' ILE . 22.1 p -95.53 155.67 16.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -157.66 111.75 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.04 ' CE1' HD13 ' A' ' 84' ' ' ILE . 15.5 m-85 -92.78 159.65 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -173.94 137.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -82.26 159.9 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.25 -14.09 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -1.82 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.03 27.79 51.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 75' ' ' SER . 1.1 tt0 -118.25 137.21 53.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.424 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 11.3 pt20 -82.56 121.71 27.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 84' ' ' ILE . 4.1 mt -77.58 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -68.97 119.81 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.04 HD13 ' CE1' ' A' ' 74' ' ' PHE . 1.6 tt -152.6 161.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.432 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 42.3 m-20 -149.76 159.58 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -10.42 39.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -51.21 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.2 m-85 -117.86 -26.55 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 84' ' ' ILE . 41.5 t-20 34.35 41.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 p -140.14 162.17 35.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 74' ' ' PHE . 3.8 p90 -165.26 162.06 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -118.69 128.28 54.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -149.51 140.12 22.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.475 ' OD2' ' CD1' ' A' ' 32' ' ' LEU . 25.9 m-20 60.09 20.07 9.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.41 -26.21 12.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 97' ' ' SER . 2.3 mp -69.41 163.27 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -128.6 100.14 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.446 ' HD2' HG22 ' A' ' 11' ' ' VAL . 16.1 m-85 -91.21 149.49 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -155.86 121.37 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -96.25 106.57 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.898 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.73 165.06 49.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.95 51.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.63 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -142.78 174.76 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.91 145.39 7.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -94.85 146.16 24.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -136.93 118.99 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 96' ' ' ILE . 20.9 t -113.41 111.91 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.57 132.08 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 55' ' ' ASP . 2.0 mp -92.82 154.96 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -74.97 -19.86 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -68.96 -6.37 27.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.57 9.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.14 164.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -157.52 128.21 2.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.05 166.75 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 138.81 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 51' ' ' ILE . 96.4 m-85 -123.98 156.19 66.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.64 32.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.504 1.791 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.2 tm? -117.95 135.58 54.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.8 m-85 -118.75 154.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.898 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -83.32 117.19 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 132.92 -154.93 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -74.74 128.43 35.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' LEU . 97.1 m-20 -131.38 156.29 45.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 62' ' ' ILE . 9.5 tp -135.02 153.56 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.4 mp -128.59 139.31 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.651 HG13 ' CD1' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -106.18 147.67 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -132.27 123.86 27.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.2 -155.98 29.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -82.04 1.66 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 0.833 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 61' ' ' ILE . 3.6 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.488 ' HG2' ' CG1' ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.19 -21.17 50.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -171.06 136.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 40.8 mt -113.77 148.66 16.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -136.88 111.3 9.45 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.58 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.811 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.3 t -133.1 62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -76.46 4.35 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.9 p30 -87.75 15.81 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.6 t -121.62 152.13 39.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -86.91 -9.13 56.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.52 168.91 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.567 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -122.27 153.79 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 157.81 -172.63 35.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.416 1.073 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.651 ' CD1' HG13 ' A' ' 31' ' ' VAL . 15.5 mm -137.1 166.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.6 mt -149.8 163.13 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 9.2 m-85 -126.71 146.35 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -147.26 112.72 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -112.85 113.76 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.429 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -114.14 141.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.537 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 6.0 t -96.48 170.55 9.14 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -81.77 -13.77 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -82.83 8.61 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.9 t30 81.46 46.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 11.0 mm -110.87 145.55 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -135.49 118.41 16.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.88 131.69 53.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.847 ' CG ' HG21 ' A' ' 84' ' ' ILE . 28.5 m-85 -106.31 154.89 20.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.512 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -161.89 166.44 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -104.66 154.88 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -64.84 -11.23 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -76.97 0.3 21.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.52 35.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CB ' ' OD1' ' A' ' 76' ' ' ASP . 13.8 mm-40 -117.5 162.53 17.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -94.9 153.5 17.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.092 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.512 HD12 ' C ' ' A' ' 75' ' ' SER . 58.3 mt -127.87 116.26 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -81.39 120.5 25.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.82 144.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.546 ' O ' HD12 ' A' ' 84' ' ' ILE . 3.1 m120 -74.05 131.5 41.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -21.12 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.29 -22.32 52.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.77 -24.01 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 81.7 m-20 39.62 44.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 155.21 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 6.9 p90 -146.21 174.52 11.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 6.0 tt0 -132.67 143.37 49.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 7.8 t80 -162.43 145.59 11.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 54.76 21.97 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.59 -28.11 7.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -70.51 161.58 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -117.41 142.6 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m-85 -124.53 152.61 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -156.42 122.76 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.124 HD11 HD23 ' A' ' 9' ' ' LEU . 2.0 mm? -102.99 108.73 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 tttt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.863 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.61 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -61.71 152.03 76.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 48.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.053 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.3 m-85 -133.99 165.65 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -153.59 149.97 28.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -93.0 151.32 19.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -135.21 136.67 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.354 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 53' ' ' VAL . 3.0 t -136.89 108.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.1 OUTLIER -109.42 135.58 50.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 55' ' ' ASP . 7.8 mp -98.96 155.21 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -69.52 -23.87 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -68.63 -6.82 28.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 24.89 10.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.06 162.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -161.39 150.31 19.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.513 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -150.9 163.35 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 mp0 -141.3 152.21 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 51' ' ' ILE . 12.0 m-85 -146.87 157.06 47.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.94 -170.6 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.053 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -174.3 140.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.863 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.3 m-85 -109.92 142.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -57.35 118.89 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.26 -155.73 23.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.9 m-80 -71.58 126.81 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.742 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -125.01 156.86 37.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 28' ' ' ASN . 24.5 mt -133.32 148.22 51.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 41.2 mt -126.25 104.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.825 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.88 152.73 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.077 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.25 121.81 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.23 -156.02 51.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.71 0.83 45.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.741 HG21 HG12 ' A' ' 61' ' ' ILE . 22.0 m . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.07 -0.396 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.3 tp10 -76.1 -24.38 55.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 24' ' ' TYR . 23.5 t30 178.21 131.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.77 HD11 ' HG2' ' A' ' 47' ' ' PRO . 14.2 mt -111.41 144.35 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -136.14 113.42 10.52 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.527 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.05 151.25 39.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 32' ' ' LEU . 32.0 t -122.45 69.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -78.14 4.23 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.821 ' O ' HD21 ' A' ' 13' ' ' LEU . 4.2 p30 -87.92 15.34 7.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -113.41 138.14 50.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -7.35 38.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 -176.0 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.921 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 29.1 p30 -126.66 174.08 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.81 -171.7 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.825 ' CD1' HG22 ' A' ' 31' ' ' VAL . 19.9 mm -141.57 151.04 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 0.8 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.3 mt -139.98 163.85 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 13.7 m-85 -128.63 142.32 51.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -148.96 117.89 6.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.1 m -118.09 136.2 53.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -132.76 115.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.14 155.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -61.9 -14.49 34.63 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 66.4 m-20 -84.05 1.6 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.2 t-20 79.66 35.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 36.1 mm -104.35 103.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.4 p -93.03 151.9 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.1 120.56 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.906 ' CD1' HG21 ' A' ' 84' ' ' ILE . 12.9 m-85 -101.71 155.08 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.463 ' HG ' ' C ' ' A' ' 80' ' ' GLU . 3.1 t -163.59 150.94 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.515 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -91.58 157.74 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.39 -14.76 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 -3.64 27.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.94 26.61 44.37 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.463 ' C ' ' HG ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -117.97 129.47 55.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.84 133.41 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.515 HD11 ' OD2' ' A' ' 76' ' ' ASP . 5.7 mt -100.53 131.79 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -84.32 120.29 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.906 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.28 142.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -78.59 104.39 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -58.42 -21.47 50.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.42 -24.41 62.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -116.09 -20.57 9.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 43.66 55.32 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -167.02 163.66 15.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.186 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 4.0 p90 -155.86 175.38 14.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -135.87 148.71 48.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.21 147.19 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 57.54 24.02 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.44 -30.51 5.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.33 163.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.498 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -123.01 108.99 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 96' ' ' ILE . 25.0 m-85 -92.89 158.81 15.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -160.28 132.33 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.543 HD11 HD23 ' A' ' 9' ' ' LEU . 3.1 mm? -109.36 105.63 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.595 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -62.27 166.01 7.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -75.01 48.73 2.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 23' ' ' LEU . 45.8 m-85 -147.43 157.67 43.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -144.83 147.22 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.882 HD23 HD11 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -95.34 148.45 22.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.65 146.73 38.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 ' CE2' ' A' ' 98' ' ' PHE . 4.7 t -138.88 118.02 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -118.01 134.68 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.9 mp -97.73 158.16 15.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -72.97 -22.27 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -6.64 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.28 25.95 9.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.79 160.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -158.22 142.08 8.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.93 165.24 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.83 147.17 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 51' ' ' ILE . 65.7 m-85 -137.04 156.08 75.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -74.99 150.41 38.13 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.056 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -128.22 128.83 45.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.056 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -111.66 143.27 42.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -63.13 129.77 41.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . 125.96 -155.66 19.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.926 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m-20 -77.01 129.75 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -131.3 156.16 45.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.981 HD12 ' HG3' ' A' ' 47' ' ' PRO . 95.6 mt -138.82 150.63 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.513 HD12 ' CG2' ' A' ' 62' ' ' ILE . 19.9 mt -118.27 120.97 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 52' ' ' PRO . 6.4 t -89.64 107.25 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -104.34 96.84 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 132.69 -176.78 19.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -82.31 1.6 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 61' ' ' ILE . 31.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.981 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.837 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -169.88 125.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -112.45 126.69 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.695 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -118.2 108.15 42.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.545 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 167.24 27.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.951 ' HB ' HD22 ' A' ' 32' ' ' LEU . 2.8 t -134.37 82.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -78.13 4.1 13.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.774 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -96.24 16.12 19.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.556 ' OG ' HD13 ' A' ' 32' ' ' LEU . 93.2 p -131.06 148.29 52.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.043 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -9.75 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -77.08 169.67 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.054 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -126.87 138.79 53.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 152.43 174.31 22.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.668 HD11 HG21 ' A' ' 35' ' ' THR . 3.8 mp -138.69 122.4 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.513 ' CG2' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -94.79 164.07 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.8 m-85 -114.92 142.15 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -150.14 104.48 3.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.926 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.5 m -115.29 131.24 56.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.988 HD11 HD11 ' A' ' 23' ' ' LEU . 1.7 pt -124.8 144.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.503 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -99.44 155.95 17.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -12.0 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.91 18.91 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 1.8 m120 67.19 48.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -114.22 151.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.773 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.2 p -135.43 145.46 47.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -150.48 113.67 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.836 ' CG ' HG21 ' A' ' 84' ' ' ILE . 6.0 m-85 -101.0 154.64 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -162.66 162.78 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.578 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.67 160.98 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 29.3 tt0 -56.6 -16.01 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.17 1.48 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.55 26.61 69.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 3.4 mt-10 -117.66 128.94 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.69 134.11 46.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.578 HD11 ' OD2' ' A' ' 76' ' ' ASP . 6.9 mt -100.42 124.75 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -75.09 120.48 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.836 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.1 134.79 55.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 1.065 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.698 ' O ' HD12 ' A' ' 84' ' ' ILE . 5.2 m120 -59.92 129.88 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -80.67 -26.49 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.3 -16.71 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' A' ' 85' ' ' ASN . 21.4 m-85 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 65.0 m-20 42.6 56.77 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.6 p -164.41 -177.5 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 98' ' ' PHE . 14.6 p90 -170.87 176.02 4.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 3.6 tt0 -139.67 134.54 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -157.37 147.27 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.1 20.94 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.95 -21.14 25.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.56 ' CG2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mt -73.46 164.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -128.31 97.19 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.725 ' CE2' HG13 ' A' ' 11' ' ' VAL . 59.9 m-85 -91.99 155.81 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CE1' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.66 142.91 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.562 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.882 HD11 HD23 ' A' ' 9' ' ' LEU . 3.9 mm? -114.07 105.05 12.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -60.87 152.22 70.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.94 42.23 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.54 ' H ' HD11 ' A' ' 23' ' ' LEU . 3.1 m-30 -114.46 -176.35 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -161.19 137.1 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD23 ' HG ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -106.74 141.3 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ASP . 5.4 mp -136.8 141.3 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 96' ' ' ILE . 76.5 t -135.58 107.84 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -100.0 131.26 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.783 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -104.65 164.59 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.35 -20.57 55.68 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 8.4 t-20 -68.92 7.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.75 19.48 71.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.783 ' HB ' HD21 ' A' ' 13' ' ' LEU . 45.0 t -103.68 169.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -154.71 131.3 3.11 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -113.84 134.11 54.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 27.8 tt0 -111.36 115.5 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.861 ' CG ' HD11 ' A' ' 51' ' ' ILE . 49.2 m-85 -108.09 157.56 35.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.01 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.063 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -161.72 146.32 13.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 4' ' ' LEU . 6.5 m-85 -120.88 143.52 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -62.83 113.29 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.69 -154.84 22.31 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.863 ' HA ' HG23 ' A' ' 65' ' ' THR . 3.5 m120 -72.27 133.81 45.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -132.24 157.21 44.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' HE1' ' A' ' 63' ' ' TYR . 9.8 tt -131.64 152.64 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 62' ' ' ILE . 15.1 mt -127.59 146.59 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -118.3 140.19 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.387 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD22 ' HB ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -130.29 108.98 10.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.02 -156.42 18.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -82.98 -1.95 53.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.928 ' HB ' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.0 tp10 -58.41 -37.78 76.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -174.3 142.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG12 HD22 ' A' ' 29' ' ' LEU . 3.2 mt -106.44 148.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.861 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -134.03 111.54 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.572 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.05 163.3 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.669 ' HB ' HD22 ' A' ' 32' ' ' LEU . 22.6 t -133.21 74.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.5 p -78.18 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.755 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.66 15.76 9.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 96' ' ' ILE . 86.7 p -121.11 150.68 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -95.91 -1.9 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.8 m -113.69 172.76 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.53 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 1.3 p30 -109.47 177.61 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 131.56 173.24 13.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.7 mp -136.69 149.72 26.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 30' ' ' ILE . 7.9 mt -129.45 164.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HE1' HD12 ' A' ' 29' ' ' LEU . 15.5 m-85 -125.39 143.91 50.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -149.25 120.45 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.863 HG23 ' HA ' ' A' ' 27' ' ' ASN . 91.8 m -125.59 136.26 53.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.647 HD12 HD23 ' A' ' 23' ' ' LEU . 1.8 mt -132.66 141.72 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -104.21 149.85 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -60.27 -15.55 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 44.0 m-20 -81.27 1.8 30.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.621 ' C ' HD12 ' A' ' 71' ' ' ILE . 15.0 t-20 79.2 40.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -114.91 104.47 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.37 153.39 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.262 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.47 118.74 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CD1' HG21 ' A' ' 84' ' ' ILE . 16.6 m-85 -93.85 161.96 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.41 165.34 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -109.02 153.72 23.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 3.0 tm-20 -62.57 -12.34 22.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -4.07 27.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.04 25.12 38.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -117.69 162.1 18.59 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.429 0.723 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -90.12 154.61 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.362 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.8 mt -125.31 121.73 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.41 120.52 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.07 143.87 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ASN . 17.6 m-20 -76.72 126.52 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 t -77.73 -21.06 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.01 -19.36 51.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -116.34 -24.37 7.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ASN . 79.0 m-20 44.31 38.58 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.86 151.47 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.5 p90 -142.8 176.33 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -131.09 146.79 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -165.44 139.84 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.57 21.08 8.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.26 -28.9 8.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.628 HG21 HG13 ' A' ' 11' ' ' VAL . 1.6 mp -66.56 162.38 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -124.4 104.94 9.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.902 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 50.9 m-85 -83.84 159.29 21.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -160.41 116.18 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.565 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' HD23 ' A' ' 9' ' ' LEU . 7.0 mp -110.3 117.68 34.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.81 163.49 64.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.92 53.08 3.19 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' LEU . 41.8 m-85 -142.22 173.17 11.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -160.88 141.93 11.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -91.75 147.04 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 99' ' ' HIS . 4.5 mp -135.93 114.59 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.604 ' CG1' HG21 ' A' ' 96' ' ' ILE . 38.1 t -103.44 107.72 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.56 132.69 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.842 HD21 ' CB ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -99.06 162.93 12.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.437 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -73.77 -22.38 59.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -5.48 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.09 25.81 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -95.79 160.55 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.18 103.95 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.78 164.82 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.46 134.02 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.892 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.4 m-85 -121.96 158.05 55.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 139.08 24.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.591 1.837 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -111.71 134.59 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.786 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.1 m-85 -118.2 155.31 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.827 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -82.74 120.76 26.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.07 -154.78 18.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.654 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -72.16 131.21 42.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 m-20 -125.57 157.77 36.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 30' ' ' ILE . 8.6 tt -131.24 152.45 50.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.3 mp -132.04 144.23 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.848 ' HA ' HD13 ' A' ' 61' ' ' ILE . 1.1 t -114.01 148.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.905 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.21 124.69 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 71.11 -155.44 52.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.29 1.62 40.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.688 HG21 HG12 ' A' ' 61' ' ' ILE . 19.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 110.953 -0.441 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.44 -24.87 63.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.602 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 18.9 t-20 -174.99 140.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.66 HG23 HD22 ' A' ' 29' ' ' LEU . 3.0 mt -112.42 147.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.892 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -138.24 108.92 8.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 161.09 39.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.413 1.744 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.905 ' HB ' HD22 ' A' ' 32' ' ' LEU . 76.2 t -134.49 64.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 p -75.47 3.6 8.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.842 ' CB ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.58 16.48 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' HD11 ' A' ' 96' ' ' ILE . 32.0 t -107.41 149.58 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -82.51 3.76 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -136.27 168.81 18.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.9 164.73 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 154.61 -168.83 32.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.415 1.072 . . . . 0.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.848 HD13 ' HA ' ' A' ' 31' ' ' VAL . 17.6 mm -143.78 149.33 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.952 HG22 HD13 ' A' ' 30' ' ' ILE . 12.1 mt -134.53 162.48 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 37.8 m-85 -130.52 144.09 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.963 ' HB3' HD11 ' A' ' 30' ' ' ILE . 1.4 tp -150.07 130.33 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 27' ' ' ASN . 96.9 m -127.93 138.57 52.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -131.74 144.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.4 m -103.16 152.48 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.1 mttt -64.41 -12.19 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.1 m-20 -80.94 5.51 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.2 t-20 80.55 41.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -110.26 148.66 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.14 145.52 47.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 137.38 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CG ' HG21 ' A' ' 84' ' ' ILE . 21.9 m-85 -110.7 163.95 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.446 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.5 p -166.67 158.77 13.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 153.54 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.57 32.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -4.16 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.74 28.06 30.3 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.27 161.18 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.1 129.51 51.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' C ' ' A' ' 75' ' ' SER . 6.3 mt -101.89 113.48 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -72.25 123.41 22.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.583 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -125.85 146.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -75.09 118.37 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 m -71.13 -18.27 62.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -75.29 -22.55 57.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -24.32 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 6.7 t-20 39.98 59.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.93 158.28 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.062 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -170.79 178.02 3.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -137.64 153.07 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -167.52 143.22 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.99 26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.03 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.747 HG23 HD12 ' A' ' 13' ' ' LEU . 5.7 mm -68.67 153.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -124.61 94.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 74.7 m-85 -76.23 158.09 31.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' HD13 ' A' ' 10' ' ' LEU . 17.1 t60 -159.23 119.0 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 3.0 mm? -100.98 105.15 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.831 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -68.14 164.4 42.57 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -75.1 52.7 3.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -138.9 168.32 20.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -152.88 137.14 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -94.66 148.69 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.972 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -138.09 137.67 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.67 HG11 ' OD1' ' A' ' 55' ' ' ASP . 91.0 t -129.65 114.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 13.1 ptpt -111.69 130.35 55.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.946 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.7 mp -98.11 158.71 15.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 14' ' ' THR . 1.4 p -70.03 -22.41 63.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' HB3' HG23 ' A' ' 17' ' ' VAL . 1.6 t-20 -68.77 -5.59 21.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.71 25.11 16.02 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.5 t -102.28 154.76 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -152.38 112.27 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.972 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.1 m-20 -108.46 168.25 9.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.07 135.97 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.911 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.6 m-85 -124.31 154.14 68.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.67 28.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -110.98 134.64 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.785 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-85 -118.57 154.32 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.831 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -82.61 114.27 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 66' ' ' ILE . . . 133.65 -155.38 21.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.73 ' HA ' HG23 ' A' ' 65' ' ' THR . 6.7 m-80 -69.44 116.12 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 66' ' ' ILE . 13.7 m-20 -122.55 115.14 21.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.99 150.51 20.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 HG23 ' A' ' 51' ' ' ILE . 10.3 mt -125.61 108.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.26 152.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -133.21 126.9 32.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 62.85 -151.53 47.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -83.3 1.08 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 110.254 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.582 HG21 HG12 ' A' ' 61' ' ' ILE . 33.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.375 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.722 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -80.6 -21.83 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.604 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER 176.36 133.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.722 HD11 ' HG2' ' A' ' 47' ' ' PRO . 7.7 mt -115.27 131.71 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.911 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -123.47 111.36 29.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.59 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 152.44 40.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' VAL . 13.3 t -129.79 63.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -76.6 4.42 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.946 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -84.91 12.32 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -110.74 139.3 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.12 -13.02 31.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.5 m -117.03 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -128.81 175.82 8.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.72 -166.28 28.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.7 mm -141.16 159.61 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 0.71 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 30' ' ' ILE . 6.2 mt -148.36 159.13 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 6.9 m-85 -119.01 141.45 48.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.88 94.22 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.73 HG23 ' HA ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -99.86 123.83 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -120.98 142.9 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.087 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 66' ' ' ILE . 44.7 t -103.64 163.02 12.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 4.1 ttpt -71.36 -13.72 61.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.5 m-20 -82.3 2.43 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.9 t30 79.24 39.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.252 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 24.6 mm -114.87 104.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.29 140.62 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.02 119.9 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.791 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.5 m-85 -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -162.34 169.17 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.67 154.03 22.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -64.7 -11.05 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -1.85 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.07 28.9 29.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.41 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.71 162.51 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.87 145.86 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 75' ' ' SER . 73.7 mt -117.33 117.81 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 120.78 26.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.791 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -118.24 142.55 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 84' ' ' ILE . 68.1 m-80 -69.67 124.16 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -15.77 58.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -18.04 34.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.84 -25.02 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 78.6 m-20 41.71 54.64 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.2 m -157.83 165.58 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 3.7 p90 -161.63 168.76 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 8.6 tt0 -129.72 138.09 50.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.16 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 1.3 t80 -157.87 141.11 15.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 59.56 22.26 10.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.4 -28.37 7.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.9 mp -66.11 163.39 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.497 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -125.73 117.74 24.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.754 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 51.3 m-85 -94.82 155.98 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 19.2 t60 -159.56 110.12 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 9' ' ' LEU . 9.9 mp -106.12 103.23 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 13.6 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -65.02 165.32 16.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.91 51.91 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 23' ' ' LEU . 39.6 m-85 -141.16 173.59 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.33 138.82 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.99 148.69 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.614 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -140.95 144.4 35.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 96' ' ' ILE . 53.0 t -140.24 116.0 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -109.71 142.97 40.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -104.42 156.26 18.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -56.93 -26.14 58.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.13 -7.64 37.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.82 20.81 30.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.1 t -84.92 170.44 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -163.38 129.77 2.09 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.557 1.16 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.2 129.43 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 109.253 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.25 119.38 39.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CD2' HD11 ' A' ' 51' ' ' ILE . 73.3 m-85 -106.2 160.04 27.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.98 143.87 29.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -118.61 133.72 55.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.802 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.92 148.13 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.913 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -76.48 122.95 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -154.85 20.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -69.87 117.9 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 0.804 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -114.76 156.77 24.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.068 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 30' ' ' ILE . 2.3 tm? -132.12 150.52 52.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.997 ' N ' HD13 ' A' ' 29' ' ' LEU . 10.2 mt -133.72 112.85 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.69 ' HA ' HD13 ' A' ' 61' ' ' ILE . 43.8 t -91.51 144.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.762 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -125.93 116.88 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 94.13 -164.34 25.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.596 1.185 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 1.2 42.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.4 ' CG ' ' HB2' ' A' ' 29' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.955 -0.441 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -57.14 -21.31 31.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 4.3 t-20 -169.82 130.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.632 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.9 tt -116.85 140.45 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.646 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -139.2 106.99 7.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.525 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -133.88 67.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.0 p -76.31 4.84 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.448 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.851 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.1 p30 -85.85 15.48 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 p -117.29 162.22 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 -2.81 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -122.61 173.62 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -108.61 177.75 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 148.49 175.22 20.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 31' ' ' VAL . 19.0 mm -142.91 155.33 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -149.18 157.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CD2' HD23 ' A' ' 29' ' ' LEU . 40.3 m-85 -124.11 144.95 49.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.1 tp -149.92 120.69 7.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.838 HG23 ' HA ' ' A' ' 27' ' ' ASN . 85.5 m -123.6 135.18 53.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 72' ' ' CYS . 4.7 pt -131.33 144.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 23.0 t -98.67 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -75.54 -13.27 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 8.5 m-20 -79.56 5.68 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.6 m-20 79.78 42.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.1 mp -113.78 147.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.835 ' HA ' HG22 ' A' ' 66' ' ' ILE . 26.6 p -135.17 150.0 50.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -155.49 120.54 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.776 ' CG ' HG21 ' A' ' 84' ' ' ILE . 15.4 m-85 -94.34 162.31 13.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.591 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -161.3 166.31 27.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -106.36 157.76 17.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HB ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.47 -8.76 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 11.48 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.39 32.41 65.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.6 161.91 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -94.93 146.9 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.591 HD12 ' C ' ' A' ' 75' ' ' SER . 48.5 mt -122.62 130.79 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.385 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -97.35 120.27 37.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.776 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -108.71 141.79 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.196 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ASN . 97.7 m-20 -66.03 133.91 51.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -81.18 -34.69 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -16.32 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.9 -24.79 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASN . 14.7 m120 38.89 46.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -158.9 169.67 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.3 p90 -157.26 175.89 13.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 9.1 tt0 -135.82 143.48 45.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -166.44 147.8 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.92 21.21 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.78 -26.92 7.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.648 HG21 HG13 ' A' ' 11' ' ' VAL . 1.4 mp -71.34 161.81 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 0.804 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -119.95 107.7 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 11' ' ' VAL . 45.2 m-85 -93.11 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p-80 -156.62 134.63 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 6.8 mp -115.51 113.49 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.726 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.737 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -59.81 148.14 76.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -75.0 49.24 2.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.06 ' CB ' HD21 ' A' ' 23' ' ' LEU . 30.4 m-85 -134.33 165.82 24.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.73 146.82 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.643 HD21 ' CG2' ' A' ' 11' ' ' VAL . 9.1 tt -94.8 156.47 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.62 136.55 36.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.643 ' CG2' HD21 ' A' ' 9' ' ' LEU . 41.9 t -132.59 110.34 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -101.93 144.28 30.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 55' ' ' ASP . 5.8 mp -103.01 152.98 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.83 -24.6 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -9.06 46.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 22.04 16.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.97 163.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -150.97 141.99 9.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.852 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -137.2 167.94 20.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.86 151.86 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 51' ' ' ILE . 80.4 m-85 -145.68 154.36 51.95 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.88 2.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.06 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -171.4 137.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 7.3 m-85 -106.64 142.97 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -58.57 114.07 2.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.14 -154.1 22.67 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.568 1.168 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.597 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m120 -72.28 132.67 44.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.71 157.67 39.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.67 HD23 HG23 ' A' ' 50' ' ' ILE . 5.7 tt -135.02 152.69 51.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.791 HD12 HG22 ' A' ' 62' ' ' ILE . 4.7 mt -128.02 146.95 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG12 ' OG1' ' A' ' 35' ' ' THR . 0.1 OUTLIER -117.23 147.18 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 60' ' ' GLY . 4.3 tp -132.95 134.74 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 80.36 -148.99 30.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -7.47 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 61' ' ' ILE . 68.8 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.53 ' HG2' ' CG1' ' A' ' 50' ' ' ILE . 18.0 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.183 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.8 p-10 -178.67 143.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.67 HG23 HD23 ' A' ' 29' ' ' LEU . 8.9 mt -113.49 148.16 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.63 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -136.82 110.3 9.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.599 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.08 159.35 41.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 55' ' ' ASP . 59.4 t -135.59 71.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 p -79.09 5.08 12.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.742 ' HB2' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -81.37 6.68 13.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.414 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.4 m -108.33 154.52 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -89.36 -13.32 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.461 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.25 -171.9 2.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -135.22 153.3 51.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HD23 ' A' ' 32' ' ' LEU . . . 164.08 -160.62 33.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.1 mp -152.29 156.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.791 HG22 HD12 ' A' ' 30' ' ' ILE . 8.0 mt -137.78 164.31 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 24.3 m-85 -126.1 141.48 51.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.899 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -150.06 122.63 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.899 ' N ' HD12 ' A' ' 64' ' ' LEU . 24.3 m -125.81 139.3 53.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 23' ' ' LEU . 1.2 pt -134.03 143.65 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -104.54 153.79 20.73 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 3.6 tttp -66.05 -11.01 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 4.8 m-20 -82.79 5.95 19.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 21.0 t-20 81.02 37.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 66' ' ' ILE . 17.7 mm -104.9 147.65 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.619 ' HA ' HG22 ' A' ' 66' ' ' ILE . 22.6 p -135.56 146.83 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.42 136.24 12.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.785 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 7.2 m-85 -120.13 164.68 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.564 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 14.7 m -169.09 152.73 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.43 156.03 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.74 -19.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -67.6 -6.26 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.47 24.57 58.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -117.83 126.09 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.564 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 3.6 pt20 -66.75 131.47 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' ILE . 9.5 mt -86.21 141.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -70.92 120.66 16.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -153.09 151.07 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ASN . 3.2 m-80 -148.27 167.62 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.5 p -68.96 -11.02 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -51.5 67.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -118.54 -26.25 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.521 ' OD1' HD11 ' A' ' 84' ' ' ILE . 5.6 t30 34.17 44.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 t -148.04 173.71 12.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 36.7 p90 -174.35 176.52 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.67 144.35 37.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.27 146.83 6.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' CB ' ' A' ' 58' ' ' SER . 0.4 OUTLIER 62.2 26.19 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.13 -10.18 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.588 HG21 ' CG1' ' A' ' 11' ' ' VAL . 4.8 mm -88.9 157.82 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -120.2 95.43 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.028 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 78.5 m-85 -77.55 156.66 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 1.3 t60 -159.92 126.84 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -102.8 123.44 46.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 2.9 ttpt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.866 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.86 166.11 26.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.75 3.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.9 m-85 -145.67 175.67 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.95 142.65 10.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -93.0 146.92 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.614 1.196 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -130.59 138.21 50.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 96' ' ' ILE . 34.4 t -136.65 119.62 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.371 1.044 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -123.16 139.82 53.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.8 mp -98.48 154.25 18.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -75.47 -19.67 59.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -68.5 -5.94 22.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.04 24.14 10.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.377 1.048 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.31 164.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -155.24 141.74 8.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.811 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -150.65 168.18 25.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.69 159.62 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 1.011 ' CE2' HD11 ' A' ' 51' ' ' ILE . 92.3 m-85 -142.52 153.75 62.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -74.94 144.65 30.72 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.833 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -112.34 136.02 52.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.761 ' N ' HD13 ' A' ' 23' ' ' LEU . 18.7 m-85 -118.38 156.85 28.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.866 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -84.37 120.45 26.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 66' ' ' ILE . . . 129.11 -155.32 20.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 64.2 m-80 -77.47 132.6 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.89 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-20 -135.02 157.22 47.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 28' ' ' ASN . 14.2 mt -128.07 148.53 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 64' ' ' LEU . 65.4 mt -123.71 104.93 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.941 HG22 HD11 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.43 144.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.836 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -131.99 107.73 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 101.48 -165.66 18.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.576 1.173 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.09 -0.24 51.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 61' ' ' ILE . 1.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.67 -28.51 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.29 143.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HG2' ' A' ' 47' ' ' PRO . 2.5 mp -111.58 113.93 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.18 111.16 53.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.551 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -74.98 156.57 43.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.836 ' HB ' HD22 ' A' ' 32' ' ' LEU . 15.2 t -133.1 62.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 p -75.03 4.38 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.786 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.3 p30 -82.55 9.89 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -112.37 163.52 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 -5.87 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.06 154.29 27.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -99.09 176.74 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 133.34 169.8 12.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.941 HD11 HG22 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -126.57 160.99 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.425 0.721 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 23.8 mt -142.65 163.53 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 10.2 m-85 -122.41 143.64 49.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.83 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -150.39 114.92 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.801 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.5 m -120.76 140.78 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG23 ' H ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -134.39 143.79 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -104.53 150.45 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -63.6 -12.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -84.34 2.97 37.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.7 t-20 80.23 39.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 19.6 mm -111.27 104.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.44 149.6 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 108.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.65 131.76 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.722 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 5.9 m-85 -112.94 165.19 12.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.48 ' N ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -166.26 146.25 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -98.86 154.41 18.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 61' ' ' ILE . 1.6 tt0 -54.98 -17.35 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -8.16 28.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.02 24.91 42.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.424 1.077 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.0 tt0 -117.93 157.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.361 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -97.83 114.69 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 110.252 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 75' ' ' SER . 3.4 mt -67.76 140.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.03 121.47 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -152.29 146.59 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -150.42 -171.59 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -80.61 -15.98 55.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -51.33 67.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 89' ' ' ASN . 50.0 m-85 -118.72 -25.67 6.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 88' ' ' PHE . 6.4 t-20 35.36 43.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.226 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 36.0 p -157.13 -177.53 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 20.2 p90 -176.87 176.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 136.2 23.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -155.9 147.8 23.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 32' ' ' LEU . 12.2 m-20 60.92 24.41 14.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.06 -26.82 9.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.514 ' CG2' HG13 ' A' ' 11' ' ' VAL . 4.6 mm -66.37 163.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.475 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -128.51 93.14 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.733 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 38.9 m-85 -79.19 153.82 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 7.4 t60 -159.2 116.67 2.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.674 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 9' ' ' LEU . 1.5 mm? -101.79 116.12 32.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.374 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.05 165.0 47.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.0 Cg_endo -75.11 52.96 3.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -145.59 175.24 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -158.25 147.09 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.94 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -99.75 147.1 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.04 141.97 42.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.706 HG11 HG13 ' A' ' 53' ' ' VAL . 60.6 t -136.93 110.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 9.7 ptmt -103.62 131.73 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -103.89 164.95 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.85 -19.71 52.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 3.6 m120 -69.5 7.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.07 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 68.1 20.0 72.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.723 ' HB ' HD21 ' A' ' 13' ' ' LEU . 58.8 t -103.85 169.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -153.35 135.55 4.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.579 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -117.82 123.48 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.14 115.03 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 51' ' ' ILE . 95.9 m-85 -103.39 156.59 35.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.18 20.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -106.61 133.41 51.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.742 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.69 156.19 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.859 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -85.03 117.54 24.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.517 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 133.65 -154.58 21.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.45 129.2 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' LEU . 80.6 m-20 -134.78 156.66 48.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.039 HD23 ' N ' ' A' ' 30' ' ' ILE . 6.6 tt -129.89 152.12 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.039 ' N ' HD23 ' A' ' 29' ' ' LEU . 9.6 mt -124.19 104.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 52' ' ' PRO . 1.2 t -72.96 150.05 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -131.86 116.81 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.52 -162.29 34.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -84.86 2.44 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.877 HG21 HD11 ' A' ' 61' ' ' ILE . 99.5 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.048 -0.405 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -21.43 66.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.558 ' CG ' ' CG ' ' A' ' 24' ' ' TYR . 6.0 m120 -168.78 125.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 29' ' ' LEU . 2.9 tt -110.21 145.25 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.915 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -133.94 111.4 12.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.629 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 146.08 32.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.595 1.839 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.706 HG13 HG11 ' A' ' 11' ' ' VAL . 23.8 t -117.92 68.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 p -77.12 4.09 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -87.41 15.43 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.616 ' HA ' HD11 ' A' ' 96' ' ' ILE . 94.6 p -116.55 157.16 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 6.66 48.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.63 157.3 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -102.13 158.9 15.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 157.23 -167.14 33.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 35' ' ' THR . 1.8 mp -150.94 162.81 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 3.4 mt -150.03 162.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 12.7 m-85 -118.33 146.61 44.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' ASN . 2.9 tp -146.51 107.27 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 117.89 35.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -117.95 138.31 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -105.14 151.78 23.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.7 mtpt -61.62 -17.3 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 43.6 m-20 -80.8 2.64 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CE1' ' A' ' 7' ' ' PHE . 4.5 t-20 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.4 mp -108.69 107.12 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.76 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -144.14 110.0 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.2 m-85 -92.75 155.48 17.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -158.68 166.03 32.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 160.13 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -9.29 24.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -83.53 9.57 11.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.15 31.01 64.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.1 mt-10 -117.48 158.98 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -93.98 137.6 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 75' ' ' SER . 31.4 mt -104.66 130.92 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -86.33 120.5 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -120.0 136.04 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.582 1.177 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.534 ' O ' HD12 ' A' ' 84' ' ' ILE . 13.4 m120 -64.6 121.83 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -14.57 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.058 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.09 -17.37 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -22.21 9.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 43.14 47.34 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 p -155.96 164.15 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.0 p90 -154.59 175.2 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -135.52 147.41 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.04 144.38 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 56.28 23.38 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.37 -29.01 6.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.4 mp -65.62 163.1 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -127.66 113.71 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 53.7 m-85 -96.1 155.22 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.71 124.21 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.508 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.94 HD11 HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.944 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -73.64 164.91 57.61 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.598 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.3 Cg_endo -74.98 48.99 2.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 24.0 m-85 -147.98 157.43 43.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -138.56 157.12 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -104.17 148.09 26.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -141.4 121.06 13.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.62 ' CG1' HG21 ' A' ' 96' ' ' ILE . 18.5 t -118.99 108.83 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.9 OUTLIER -107.51 138.84 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.74 HD12 HG23 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -97.07 156.84 16.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 95' ' ' GLY . 2.2 p -73.25 -20.24 60.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.0 -3.44 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.02 24.92 15.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -103.02 157.86 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -145.22 143.38 11.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.075 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -143.52 156.36 44.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.33 135.52 35.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.699 ' CG ' HD11 ' A' ' 51' ' ' ILE . 92.2 m-85 -129.16 154.97 80.57 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.99 143.12 28.72 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.063 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -116.55 128.91 55.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.063 ' N ' HD12 ' A' ' 23' ' ' LEU . 6.5 m-85 -113.6 143.59 44.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.944 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -66.63 125.4 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.11 -155.49 21.04 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.14 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.896 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.19 110.09 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.497 ' C ' HD23 ' A' ' 29' ' ' LEU . 51.1 m-80 -118.17 115.52 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.5 mt -98.97 144.16 28.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.653 HG23 HG23 ' A' ' 51' ' ' ILE . 3.1 mm -109.53 108.39 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.606 HG12 ' HA ' ' A' ' 52' ' ' PRO . 1.1 t -72.07 146.21 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -131.91 125.4 31.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.83 -156.08 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -83.95 1.07 45.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.242 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.454 HG21 HD12 ' A' ' 61' ' ' ILE . 1.2 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.623 ' CG ' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -22.04 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 174.97 135.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' CG ' ' A' ' 47' ' ' PRO . 41.7 mt -116.12 122.21 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.699 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -107.55 121.4 44.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.0 148.87 35.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 79.8 t -134.77 59.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 p -76.76 4.61 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.646 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -71.2 -3.89 22.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -104.51 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 5.56 50.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.2 m -120.48 148.81 43.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -102.65 156.31 17.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 156.41 -160.81 30.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -151.82 158.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 1.4 mt -139.23 160.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 77' ' ' GLU . 15.7 m-30 -115.02 138.41 50.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.816 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.59 96.2 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.896 HG23 ' HA ' ' A' ' 27' ' ' ASN . 4.8 m -109.9 126.95 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 72' ' ' CYS . 23.4 pt -127.13 142.32 43.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.613 1.196 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.494 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 28.5 t -97.23 163.49 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -13.21 61.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -82.29 7.47 13.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.525 ' C ' HD12 ' A' ' 71' ' ' ILE . 3.6 m120 74.11 41.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.53 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.6 mp -115.18 103.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.77 ' HA ' HG22 ' A' ' 66' ' ' ILE . 23.3 p -93.13 142.52 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.59 110.43 5.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.834 ' CG ' HG21 ' A' ' 84' ' ' ILE . 24.1 m-85 -91.51 156.33 17.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.57 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 3.8 m -168.5 161.44 11.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.064 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -102.39 155.96 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -56.39 -16.43 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -7.67 35.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.42 24.04 41.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 8.5 tt0 -117.45 135.73 53.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 0.779 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 1.2 pm0 -79.08 141.73 37.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.408 HD11 ' OD2' ' A' ' 76' ' ' ASP . 7.7 mt -111.44 144.34 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -95.84 120.42 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.834 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -109.65 134.83 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.663 ' O ' HD12 ' A' ' 84' ' ' ILE . 15.0 t-20 -55.67 131.58 46.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.69 -33.4 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -14.94 59.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.425 ' CB ' ' HB3' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -115.33 -24.56 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 9.5 m120 40.45 50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.7 p -159.77 169.36 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.8 p90 -158.72 175.8 13.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -162.33 145.67 11.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 60.75 20.54 10.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 14' ' ' THR . . . 91.8 -22.13 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.74 HG23 HD12 ' A' ' 13' ' ' LEU . 18.5 mm -71.03 161.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -125.54 92.97 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 64.9 m-85 -80.89 154.0 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -159.4 125.5 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.678 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 23' ' ' LEU . 2.2 mm? -100.49 105.62 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 tttm . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.266 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.691 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -55.22 144.21 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 44.19 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.005 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.9 m-85 -134.99 161.43 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' PRO . 5.2 tpt180 -137.17 145.01 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.073 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.02 146.35 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -129.25 141.19 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 96' ' ' ILE . 66.9 t -140.23 116.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HG2' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -112.96 144.22 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.2 mp -103.8 155.07 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.04 -26.24 59.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.448 ' HB3' HG23 ' A' ' 17' ' ' VAL . 10.8 t30 -68.34 -8.95 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.53 19.87 28.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.575 1.172 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.0 t -86.34 169.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.58 0.812 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -159.17 141.23 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -138.7 166.63 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.739 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 1.5 pm0 -143.05 145.62 33.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.554 ' CD2' HG12 ' A' ' 51' ' ' ILE . 10.2 m-85 -143.54 154.21 59.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 158.05 42.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 7' ' ' PHE . 3.2 pp -144.28 128.44 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.691 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 8.5 m-85 -96.26 143.5 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD2' ' HG3' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.45 117.21 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.66 -154.41 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.571 1.17 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.756 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.53 109.49 16.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -103.58 156.97 17.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' A' ' 63' ' ' TYR . 8.1 tt -134.36 153.89 51.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 51' ' ' ILE . 9.5 mt -126.36 146.56 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 52' ' ' PRO . 1.0 OUTLIER -110.45 146.8 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.14 124.53 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 91.73 -154.83 22.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -83.81 -4.84 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 0.0 110.254 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 61' ' ' ILE . 2.3 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.21 -19.76 19.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 23' ' ' LEU . 15.7 t30 -145.28 115.77 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 47' ' ' PRO . 5.1 mt -108.88 120.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -118.22 109.93 40.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.561 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 159.94 40.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.656 ' HB ' HD22 ' A' ' 32' ' ' LEU . 91.4 t -133.89 70.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 p -77.54 4.54 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.888 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -85.08 11.38 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.598 ' OG ' HG12 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -116.75 152.83 33.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -91.46 -8.44 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 3.2 m -100.08 166.75 10.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -118.94 146.42 44.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.47 -167.65 36.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.4 1.062 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 35' ' ' THR . 1.2 mp -148.41 157.78 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 4.9 mt -137.84 164.26 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 29' ' ' LEU . 30.1 m-85 -122.97 144.22 49.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.68 103.14 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.756 HG23 ' HA ' ' A' ' 27' ' ' ASN . 48.5 m -108.26 133.34 52.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.42 144.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.422 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 17.8 t -103.02 166.43 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 11.1 tttm -77.02 -13.3 59.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.3 m-20 -80.74 5.67 15.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.3 t-20 80.26 44.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -114.54 147.01 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.665 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.8 p -136.05 149.47 48.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -158.16 116.47 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.964 ' CD1' HG21 ' A' ' 84' ' ' ILE . 62.7 m-85 -93.13 158.94 15.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -160.27 165.89 30.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.928 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -107.47 155.36 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -57.07 -16.21 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.23 -5.22 30.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.47 25.99 40.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.0 tt0 -117.12 160.9 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.41 135.53 36.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.401 ' CD1' ' C ' ' A' ' 75' ' ' SER . 8.0 mt -104.51 123.28 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.4 120.61 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.964 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -114.81 143.82 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.675 ' O ' HD12 ' A' ' 84' ' ' ILE . 7.6 m-80 -72.57 133.13 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -20.44 40.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -85.92 -17.33 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.3 m-85 -115.36 -23.04 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 79.2 m-20 40.07 43.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 p -154.73 163.81 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.003 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.615 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.6 p90 -156.61 174.25 15.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.23 143.78 50.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 54.0 t80 -168.55 137.93 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-20 58.21 22.46 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.7 -29.41 7.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.804 ' CG2' HG13 ' A' ' 11' ' ' VAL . 6.0 mm -69.1 160.12 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' HG2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -126.85 93.71 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.615 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 90.9 m-85 -71.32 158.09 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 101' ' ' LYS . 21.6 t60 -160.58 111.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.568 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.073 HD11 HD23 ' A' ' 9' ' ' LEU . 2.5 mm? -94.98 116.27 28.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . 9.3 tttm . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.796 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.742 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -76.99 169.18 22.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.22 2.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CE2' HD13 ' A' ' 66' ' ' ILE . 19.3 m-85 -107.23 173.11 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -169.79 114.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.032 HD21 ' HB2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.31 131.1 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 9' ' ' LEU . 26.6 mt -123.49 129.08 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.194 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.678 HG11 HG13 ' A' ' 53' ' ' VAL . 41.8 t -124.07 121.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 1.5 ptmt -109.64 145.45 36.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -103.57 158.22 16.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.95 -26.51 62.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.351 1.032 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -8.98 47.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.63 22.3 24.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.8 t -86.75 170.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 0.814 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.491 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -157.59 121.55 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -110.78 165.86 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.38 146.15 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 51' ' ' ILE . 68.5 m-85 -146.88 152.08 43.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.032 ' HB2' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -170.74 126.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.018 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.6 m-85 -107.01 142.38 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.742 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -59.47 117.01 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.83 -153.67 22.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.684 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.4 m120 -79.31 141.55 36.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -143.66 158.69 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 63' ' ' TYR . 17.8 mt -142.1 146.56 35.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 51' ' ' ILE . 12.5 mt -114.17 145.53 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -104.71 147.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.758 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -133.0 123.36 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.604 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.57 -155.23 51.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.7 mtt85 -83.24 1.86 38.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.689 HG21 HG12 ' A' ' 61' ' ' ILE . 87.8 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.489 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.4 tp10 -69.39 -21.37 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -172.44 135.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.572 HD12 ' CG ' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -117.59 146.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -142.28 110.32 5.89 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.593 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.3 36.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.761 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' HD22 ' A' ' 32' ' ' LEU . 57.7 t -134.79 49.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.16 3.99 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.918 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -67.73 -6.78 22.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 t -92.8 176.04 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -97.68 -3.11 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.38 169.41 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 4.2 m-20 -115.54 176.88 4.88 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 143.41 -177.15 22.43 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.689 HG12 HG21 ' A' ' 35' ' ' THR . 16.1 mm -143.0 128.76 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CG2' HD12 ' A' ' 30' ' ' ILE . 8.4 mt -112.38 165.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.827 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.9 m-85 -128.71 142.44 51.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -147.62 119.21 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.798 ' N ' HD12 ' A' ' 64' ' ' LEU . 81.9 m -123.84 135.66 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 23' ' ' LEU . 1.1 pt -134.24 108.94 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t -69.33 163.88 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 4.0 tttm -65.83 -21.42 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.3 OUTLIER -76.76 -0.02 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.4 t30 77.43 45.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.4 mp -114.9 103.52 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 66' ' ' ILE . 14.1 p -86.57 155.37 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 108.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.679 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 6.7 m-85 -92.78 164.21 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 135.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.71 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -84.34 154.51 22.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 1.4 pt-20 -55.27 -17.7 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -69.2 -6.93 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.77 27.65 37.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 1.8 tt0 -117.04 118.01 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.36 115.71 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.71 HD11 ' OD2' ' A' ' 76' ' ' ASP . 3.5 mt -75.65 131.56 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -77.26 121.68 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -145.24 151.3 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 1.5 t-20 -149.73 -178.39 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.5 m -77.92 -8.28 57.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.2 -51.31 66.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.95 -25.84 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-20 34.98 50.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -165.39 174.31 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 22.5 p90 -171.8 174.53 4.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 7.2 tt0 -130.79 143.95 51.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -164.01 135.79 4.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 59.17 21.09 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.21 -33.17 5.42 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.419 1.074 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.9 mp -67.96 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -125.79 133.9 51.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 7.9 m-85 -111.56 155.31 23.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CD2' HD12 ' A' ' 10' ' ' LEU . 5.5 t60 -152.88 114.53 4.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -98.45 104.08 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HG3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.68 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.58 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.1 Cg_endo -75.0 20.32 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.536 1.809 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.495 ' HB2' ' CD1' ' A' ' 23' ' ' LEU . 7.0 m-30 -114.99 164.09 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 71.6 mtm180 -148.96 145.89 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.035 HD23 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -99.23 144.75 28.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -134.23 136.1 43.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 98' ' ' PHE . 56.2 t -130.77 110.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -110.41 143.89 40.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.892 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.1 mp -103.2 157.43 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -74.62 -20.0 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -5.97 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.97 25.3 9.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -101.79 162.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -153.17 117.63 0.82 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.741 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 m-20 -118.62 168.4 10.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -147.43 141.56 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.615 ' HE2' HG21 ' A' ' 11' ' ' VAL . 38.6 m-85 -128.2 153.65 78.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 1.008 ' HB2' HD21 ' A' ' 4' ' ' LEU . 18.0 Cg_endo -75.08 144.51 30.09 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -117.6 131.7 56.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.852 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.8 m-85 -116.99 163.2 16.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -85.88 123.04 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.948 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.75 -155.34 22.6 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.925 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.46 106.48 14.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' LEU . 76.4 m-20 -100.29 157.74 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 62' ' ' ILE . 44.7 tp -139.06 152.97 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.9 mp -132.58 124.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.551 HG22 ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.5 119.0 55.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -111.48 96.85 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 121.5 -158.65 16.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.33 -1.72 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.846 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.708 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.925 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 -41.55 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -160.05 124.72 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.708 HD11 ' HG2' ' A' ' 47' ' ' PRO . 3.9 mt -101.25 141.4 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.604 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -126.97 107.48 22.08 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 165.89 30.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.5 t -135.33 77.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -77.0 3.4 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.892 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.4 p-10 -90.19 16.05 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.574 ' CB ' HD21 ' A' ' 32' ' ' LEU . 24.8 t -125.59 150.64 47.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -9.13 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.16 176.92 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -122.19 164.74 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 143.96 176.77 18.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.846 HD11 ' HB ' ' A' ' 35' ' ' THR . 27.8 mt -146.57 157.73 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.738 ' O ' HD12 ' A' ' 29' ' ' LEU . 82.3 mt -145.38 139.69 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.22 145.41 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 30' ' ' ILE . 4.4 tp -149.61 120.82 7.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.925 HG23 ' HA ' ' A' ' 27' ' ' ASN . 3.7 m -123.4 122.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.924 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.7 pt -117.11 126.44 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.82 147.23 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.16 -16.99 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -76.08 -0.33 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.647 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.8 t-20 80.4 39.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.5 mp -115.86 103.83 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.77 129.54 23.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.85 ' CE1' HD13 ' A' ' 84' ' ' ILE . 24.5 m-85 -104.46 163.71 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -164.65 154.5 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.998 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -13.48 10.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -73.53 -1.73 19.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.88 26.64 52.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -117.78 162.37 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 0.718 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.55 131.73 39.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.616 1.197 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' SER . 13.5 mt -89.05 137.1 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.58 120.62 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.85 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -151.08 148.17 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' N ' HG13 ' A' ' 84' ' ' ILE . 36.9 m-80 -131.22 152.82 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -65.04 -11.23 36.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.951 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.46 -51.8 68.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.32 -26.58 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.5 p30 36.86 57.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -165.25 171.32 13.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 21.7 p90 -179.32 169.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.2 tt0 -107.15 152.22 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -168.16 139.49 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 56.61 20.79 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -31.53 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.718 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.28 165.44 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.411 0.712 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.523 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -128.28 104.1 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 96' ' ' ILE . 58.7 m-85 -95.57 154.85 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.02 117.32 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.035 HD21 HD23 ' A' ' 9' ' ' LEU . 8.8 mp -103.39 103.95 13.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.813 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -61.77 166.13 6.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.3 Cg_endo -74.92 49.48 2.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.737 ' HB3' HD23 ' A' ' 23' ' ' LEU . 34.2 m-85 -147.97 164.47 33.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -147.78 146.13 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.464 HD13 HG21 ' A' ' 51' ' ' ILE . 7.1 tt -95.53 154.91 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -143.45 146.33 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -139.21 125.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -113.41 141.51 46.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.86 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.3 mp -104.57 155.78 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -24.72 63.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -68.15 -8.72 40.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.08 22.28 25.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.605 1.191 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 18' ' ' GLY . 7.8 t -91.61 167.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -158.12 112.56 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.955 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -107.47 159.58 16.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 127.44 37.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.908 ' CD2' HD11 ' A' ' 51' ' ' ILE . 89.4 m-85 -113.4 158.91 37.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.605 1.191 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 142.59 28.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -120.74 126.8 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.059 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.3 m-85 -111.93 152.35 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.813 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -77.16 123.46 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.52 -154.57 21.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.918 ' HA ' HG23 ' A' ' 65' ' ' THR . 1.1 m-20 -83.52 107.82 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -105.76 156.92 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.53 HD13 ' HG3' ' A' ' 47' ' ' PRO . 9.6 tt -136.36 151.14 49.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.526 HD12 HG22 ' A' ' 62' ' ' ILE . 4.0 mt -120.52 146.1 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -113.64 146.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.82 125.02 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.618 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 77.57 -157.97 46.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 1.65 40.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 50' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -19.22 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -143.05 118.88 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -112.41 123.18 67.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.908 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -121.73 110.04 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.556 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -75.01 159.4 41.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 10.9 t -135.04 62.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -75.21 3.36 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.86 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.0 p30 -87.04 12.32 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.65 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.2 m -101.21 167.51 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.77 -2.61 40.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.07 -179.28 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.618 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -116.64 168.67 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 153.07 -177.97 30.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.639 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.1 mm -140.77 137.69 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 30' ' ' ILE . 22.3 mt -123.66 165.05 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 30.2 m-85 -129.48 144.23 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.053 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -149.29 113.07 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 27' ' ' ASN . 40.3 m -119.46 131.2 55.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.832 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.5 pt -128.21 144.7 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -102.47 150.65 23.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.4 mtmp? -65.21 -10.64 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 33.4 m-20 -82.75 8.37 12.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.1 t-20 80.06 44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.2 mp -115.34 142.94 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.621 ' HA ' HG22 ' A' ' 66' ' ' ILE . 4.3 p -134.98 137.85 43.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.43 138.41 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.053 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 11.2 m-85 -121.15 164.36 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 4.9 t -168.14 151.08 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.5 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -94.31 154.68 17.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.72 -16.69 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -67.45 -7.53 26.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.36 22.28 54.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 128.97 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -70.89 136.12 48.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 84' ' ' ILE . 8.3 mt -92.33 133.3 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -70.9 120.75 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.689 HD11 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -149.1 152.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' HG13 ' A' ' 84' ' ' ILE . 8.4 m-20 -149.36 -178.76 6.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -80.5 -5.76 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.93 -51.71 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -119.34 -26.32 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.689 ' OD1' HD11 ' A' ' 84' ' ' ILE . 14.5 t-20 33.95 53.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.9 p -161.21 173.37 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 10.9 p90 -168.76 169.25 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.72 137.54 54.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 2.2 t80 -168.09 129.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 71.74 19.13 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 -26.47 8.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' ' CZ ' ' A' ' 98' ' ' PHE . 30.2 pt -78.05 162.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -126.33 120.89 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 40.8 m-85 -95.96 154.04 17.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.569 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.99 132.1 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.99 111.14 22.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.658 HD22 ' CZ ' ' A' ' 24' ' ' TYR . 1.4 pp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.138 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -56.68 173.05 0.32 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.93 50.75 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 m-85 -117.1 174.76 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mpp_? -170.03 141.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.723 HD12 HD21 ' A' ' 100' ' ' LEU . 6.7 tt -92.13 156.44 17.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.58 143.7 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG2' HD21 ' A' ' 9' ' ' LEU . 7.0 t -139.45 115.63 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.99 141.36 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.4 mp -104.09 153.59 20.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.04 64.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -14.01 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.71 22.44 9.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.5 t -91.52 166.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.27 124.83 1.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.11 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.879 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -119.11 166.38 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -145.76 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 51' ' ' ILE . 22.1 m-85 -146.64 158.71 45.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 8' ' ' ARG . 18.1 Cg_endo -75.1 135.71 19.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.984 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -107.86 124.04 49.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.984 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.8 m-85 -100.59 142.6 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 1.138 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -75.14 113.64 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.8 -154.8 23.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.84 105.35 3.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.8 m-20 -104.29 156.43 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 50' ' ' ILE . 11.6 tp -136.81 153.61 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.5 mp -131.87 150.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -119.49 153.2 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD21 ' OD2' ' A' ' 94' ' ' ASP . 21.4 tp -132.73 140.61 48.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 69.23 -151.09 50.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -83.93 -3.97 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.625 ' CG2' HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.608 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -20.95 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 24' ' ' TYR . 3.5 t30 175.11 138.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 29' ' ' LEU . 2.5 mt -112.41 133.32 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -119.27 110.53 37.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.592 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 157.97 42.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.415 1.745 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.451 HG13 HG11 ' A' ' 11' ' ' VAL . 61.1 t -132.72 70.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.7 p -78.06 4.17 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.713 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.2 p30 -88.43 16.71 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.46 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -107.0 164.96 11.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.66 -10.61 28.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 m -118.31 -174.92 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.58 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -129.91 157.95 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 159.85 -161.27 32.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -150.03 156.35 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 mt -141.48 153.54 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 29' ' ' LEU . 7.6 m-85 -115.71 146.14 42.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD11 ' CG2' ' A' ' 66' ' ' ILE . 3.9 tp -147.25 117.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.538 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -117.61 112.34 20.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.792 HD13 HD11 ' A' ' 23' ' ' LEU . 5.2 pt -116.8 134.8 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -103.1 149.4 24.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.9 mttt -62.8 -12.32 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -81.09 3.28 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 81.07 33.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 17.9 mm -105.92 103.05 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -92.52 133.85 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.534 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -140.77 140.71 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 1.044 ' CE1' HD13 ' A' ' 84' ' ' ILE . 6.8 m-85 -121.31 163.92 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -165.75 164.33 18.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.8 154.37 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -63.83 -11.63 28.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -74.81 -1.5 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.97 27.36 37.91 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -117.47 161.32 19.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -92.24 160.73 15.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 75' ' ' SER . 52.3 mt -136.48 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.53 122.36 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.044 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -114.97 154.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.35 119.5 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -6.35 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -19.01 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.08 -25.02 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.3 m120 38.39 49.89 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -156.66 161.49 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 17.2 p90 -151.34 176.27 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 14.8 tt0 -139.3 145.55 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.423 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 5.3 t80 -168.26 147.35 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.951 ' OD2' HD21 ' A' ' 32' ' ' LEU . 25.1 m-20 58.71 21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.25 -27.52 6.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.1 mp -72.09 162.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.482 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -120.55 141.11 50.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 m-85 -122.16 152.15 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.09 125.28 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 9' ' ' LEU . 10.8 mt -102.09 104.82 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.213 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.829 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -63.9 165.72 12.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.96 49.87 2.36 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -132.1 175.65 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -170.78 135.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -91.89 149.04 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 9' ' ' LEU . 6.5 mp -139.59 116.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.739 HG11 HG13 ' A' ' 53' ' ' VAL . 2.6 t -109.86 108.89 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -117.09 135.58 53.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -94.13 170.88 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -79.92 -19.57 47.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.26 -6.23 33.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.02 24.85 7.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 2.2 t -97.22 152.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.636 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -162.48 103.04 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.385 1.053 . . . . 0.0 111.057 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.81 168.32 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE2' ' CZ ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -141.52 135.67 30.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 51' ' ' ILE . 18.9 m-85 -126.06 160.16 58.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -75.01 157.92 42.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -137.91 126.04 22.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.037 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -105.82 142.73 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.829 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.73 117.5 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.05 -154.6 22.88 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.559 1.162 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 65' ' ' THR . 24.2 m-80 -74.53 125.84 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.776 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -128.62 157.69 40.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 28' ' ' ASN . 6.8 mp -137.54 150.9 47.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 51' ' ' ILE . 36.4 mt -124.29 107.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.794 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.44 149.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.04 126.9 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 68.68 -155.5 53.41 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -83.55 2.24 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.735 HG21 HG12 ' A' ' 61' ' ' ILE . 50.6 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.719 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.67 -27.13 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -179.1 134.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 47' ' ' PRO . 8.3 mt -115.57 145.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -137.94 111.13 8.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.613 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.93 154.39 42.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.739 HG13 HG11 ' A' ' 11' ' ' VAL . 12.1 t -132.94 71.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.8 p -80.55 4.99 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.889 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.5 p30 -84.77 10.63 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 57.5 p -107.16 139.29 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -9.25 51.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 m -117.25 -177.63 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.599 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -131.68 158.4 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 162.19 -165.75 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.794 ' CD1' HG22 ' A' ' 31' ' ' VAL . 21.9 mm -141.38 157.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 2.7 mt -141.72 164.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 21.6 m-85 -126.31 140.45 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.5 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' HA ' ' A' ' 27' ' ' ASN . 54.9 m -121.22 134.65 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 23' ' ' LEU . 33.4 pt -134.56 126.0 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 13.6 t -86.18 163.23 17.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -19.71 64.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.5 m-20 -76.0 -0.03 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.691 ' C ' HD12 ' A' ' 71' ' ' ILE . 28.9 t-20 79.26 42.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -115.43 103.75 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.627 1.204 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HG22 ' A' ' 66' ' ' ILE . 31.7 p -92.46 155.2 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -158.75 113.86 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.835 ' CG ' HG21 ' A' ' 84' ' ' ILE . 9.1 m-85 -92.91 157.35 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.78 159.6 24.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.517 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.56 157.54 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -15.66 12.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -71.2 -5.46 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.89 25.83 39.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.4 tp10 -117.56 148.09 42.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.74 150.28 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 76' ' ' ASP . 29.0 mt -122.27 134.47 65.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -90.79 120.74 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.835 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -112.51 143.01 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.3 t-20 -65.76 120.7 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -75.47 -16.2 60.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -89.78 -16.46 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -22.52 9.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ASN . 9.6 p30 40.8 47.11 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 p -160.62 164.64 31.69 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 9.3 p90 -157.01 175.82 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.26 127.02 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.6 148.55 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 53.76 26.45 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.48 -18.85 31.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.574 1.172 . . . . 0.0 111.036 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.428 HG21 ' CG1' ' A' ' 11' ' ' VAL . 8.5 mm -69.97 155.76 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.09 90.56 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.084 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 52.6 m-85 -80.26 151.45 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -159.86 113.33 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 9' ' ' LEU . 5.2 mp -105.92 106.13 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.937 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.857 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -58.36 146.18 72.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 45.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.041 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.1 m-85 -124.29 160.37 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -133.15 155.46 49.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.88 HD13 ' N ' ' A' ' 10' ' ' LEU . 1.6 tm? -114.73 155.01 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.88 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.3 mp -140.79 139.8 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 9' ' ' LEU . 49.1 t -134.46 107.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 17.6 pttp -95.89 140.12 31.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.879 HD21 ' HB3' ' A' ' 55' ' ' ASP . 7.1 mp -104.11 152.3 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.7 -24.93 59.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.59 -8.3 46.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.62 19.77 28.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.4 t -91.4 169.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.17 119.77 0.9 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -111.33 168.55 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -137.61 140.44 40.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.679 ' CG ' HD11 ' A' ' 51' ' ' ILE . 89.5 m-85 -140.14 153.3 69.02 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.66 2.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.041 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -165.38 140.76 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.937 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.9 m-85 -110.64 143.98 40.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.395 1.059 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.99 113.1 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 139.84 -155.39 24.3 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -68.63 122.81 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 1.006 ' O ' HD23 ' A' ' 29' ' ' LEU . 3.6 m-20 -121.24 157.56 30.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 28' ' ' ASN . 23.3 mt -140.91 149.77 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -125.7 133.54 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.4 t -98.54 134.24 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -113.94 119.48 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 90.37 -157.69 25.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -3.99 57.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.71 ' HB ' HD11 ' A' ' 61' ' ' ILE . 3.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.595 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -23.66 47.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.606 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 48.6 t30 177.67 136.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 47' ' ' PRO . 29.8 mt -117.05 124.32 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.1 109.58 56.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.554 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 162.43 37.17 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' VAL . 7.9 t -134.55 83.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.6 p -81.36 4.95 18.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.879 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.56 16.47 18.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.598 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . 1.5 t -102.94 129.1 49.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -73.04 -9.2 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.75 -164.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 11.1 m-20 -134.23 163.9 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.52 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 147.9 -178.14 25.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.71 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mp -143.06 154.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 63' ' ' TYR . 75.4 mt -139.64 167.54 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.83 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.8 m-85 -130.57 143.21 50.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 30' ' ' ILE . 3.5 tp -141.37 125.14 16.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 64' ' ' LEU . 1.3 p -113.12 115.9 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -119.6 112.76 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.28 152.43 21.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -64.7 -11.76 39.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.34 14.23 6.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 3.8 m-80 67.8 43.07 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -111.91 104.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.13 138.88 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.5 mt-30 -147.81 146.92 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.86 ' CD1' HG21 ' A' ' 84' ' ' ILE . 9.7 m-85 -127.11 162.71 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -175.12 137.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.544 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -76.36 157.52 32.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -59.51 -14.82 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -3.94 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.68 27.34 38.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mm-40 -117.49 134.52 54.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -76.48 139.83 40.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.544 HD11 ' N ' ' A' ' 76' ' ' ASP . 3.1 mt -112.59 128.68 69.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.078 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.96 120.14 22.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.86 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.81 142.1 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -71.01 111.17 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.0 p -70.25 -5.82 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -96.09 -20.08 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.36 -23.7 8.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 43.54 43.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.61 145.66 23.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.997 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' CD1' ' A' ' 98' ' ' PHE . 25.6 p90 -139.31 175.27 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -134.35 144.47 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.37 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -168.39 147.93 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.558 ' OD2' HD12 ' A' ' 32' ' ' LEU . 36.0 m-20 55.54 21.94 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.3 6.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 1.7 mp -76.43 159.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.484 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -124.76 143.97 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 15.8 m-85 -123.9 153.79 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -152.75 121.98 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.87 ' CD2' HD23 ' A' ' 9' ' ' LEU . 7.5 mt -109.31 118.55 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.932 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.09 153.18 25.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 43.46 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.062 ' CB ' HD21 ' A' ' 23' ' ' LEU . 11.3 m-85 -132.05 166.3 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.51 146.57 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.9 OUTLIER -92.42 149.4 21.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -135.7 136.77 41.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 53' ' ' VAL . 87.1 t -136.01 107.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.98 132.9 51.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -104.72 166.93 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.534 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -63.0 -19.42 64.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.683 ' HB2' HD12 ' A' ' 13' ' ' LEU . 2.1 m-20 -70.7 9.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.65 22.13 73.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.655 ' CG1' HD21 ' A' ' 13' ' ' LEU . 39.7 t -102.61 166.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -157.27 129.1 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.4 139.61 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 7.5 pt-20 -120.01 130.57 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 51' ' ' ILE . 10.3 m-85 -128.41 156.52 76.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.609 ' HB2' HD11 ' A' ' 4' ' ' LEU . 18.2 Cg_endo -74.95 168.79 24.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.062 HD21 ' CB ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -150.5 139.27 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 4.8 m-85 -111.2 143.9 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -62.3 113.71 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . 140.86 -153.78 23.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.889 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.5 m-80 -73.08 131.49 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 0.808 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -133.63 158.08 44.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD11 ' CG2' ' A' ' 61' ' ' ILE . 2.7 tt -140.14 152.89 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.698 HD12 HG22 ' A' ' 62' ' ' ILE . 5.9 mt -124.32 127.4 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -90.97 112.04 24.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -101.33 119.57 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.61 -162.76 16.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -82.95 -2.82 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' HD11 ' A' ' 61' ' ' ILE . 4.2 p . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.547 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.6 tt0 -81.12 -21.18 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 24' ' ' TYR . 9.3 t-20 -161.33 129.68 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.366 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' A' ' 47' ' ' PRO . 53.9 mt -111.3 146.32 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.788 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -141.77 110.8 6.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.628 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 158.57 42.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.855 ' CG1' HG11 ' A' ' 11' ' ' VAL . 3.3 t -133.85 84.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.6 p -80.33 4.63 17.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.941 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.93 16.66 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 32' ' ' LEU . 2.8 t -127.13 150.34 49.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.96 -7.61 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.206 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.43 169.72 11.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -127.34 142.85 51.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.728 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 156.01 -160.51 30.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.574 1.171 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.728 HD12 ' C ' ' A' ' 60' ' ' GLY . 2.3 mp -156.02 121.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.233 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 30' ' ' ILE . 3.3 mt -96.11 163.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE1' HD12 ' A' ' 29' ' ' LEU . 53.6 m-85 -122.02 142.95 49.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -149.32 116.55 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.889 HG23 ' HA ' ' A' ' 27' ' ' ASN . 34.4 m -120.87 132.32 54.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.449 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.6 mt -128.26 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -105.0 163.8 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -68.68 -19.89 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 37.0 m-20 -78.45 2.1 20.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.8 t30 77.8 42.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.5 mp -115.04 103.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.7 153.5 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -154.88 114.76 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 84' ' ' ILE . 24.9 m-85 -93.7 157.68 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.427 ' OG ' ' C ' ' A' ' 80' ' ' GLU . 3.3 t -165.34 154.96 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.607 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.36 158.91 15.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.4 -17.42 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -6.71 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 23.2 57.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 6.3 tt0 -117.91 131.58 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.1 pt20 -75.56 132.81 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 76' ' ' ASP . 12.1 mt -97.74 113.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -67.1 120.57 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.969 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.78 138.53 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 88' ' ' PHE . 12.4 p30 -81.28 111.46 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 78.2 p -60.42 -25.82 66.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -23.08 66.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -116.36 -23.31 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ASN . 41.0 m-20 45.32 38.71 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 p -155.16 151.6 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 5.0 p90 -143.14 175.01 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -133.06 146.22 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -168.64 142.6 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.44 22.61 9.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.8 -27.56 7.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.653 ' CG2' HG13 ' A' ' 11' ' ' VAL . 10.3 mm -67.73 159.28 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -123.23 103.34 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.959 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 72.7 m-85 -84.7 157.0 21.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.416 ' NE2' ' CG ' ' A' ' 101' ' ' LYS . 14.8 t60 -160.45 119.41 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 9' ' ' LEU . 2.4 mm? -101.13 104.89 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' CG ' ' NE2' ' A' ' 99' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -163.74 175.36 10.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.49 34.31 20.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.623 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -116.12 118.2 32.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.796 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.4 165.0 32.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.1 Cg_endo -75.0 50.56 2.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.551 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 22.4 m-85 -141.7 162.01 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.495 ' HD2' HD11 ' A' ' 10' ' ' LEU . 5.5 ptp180 -150.54 152.74 34.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -102.66 144.99 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 HD11 ' HD2' ' A' ' 8' ' ' ARG . 4.7 mp -136.12 114.88 12.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG11 ' OD2' ' A' ' 55' ' ' ASP . 51.0 t -107.74 110.73 32.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -110.28 133.11 53.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.732 HD21 ' HB2' ' A' ' 55' ' ' ASP . 6.2 mp -101.12 153.57 19.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -73.2 -21.54 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -68.29 -7.08 27.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.74 23.75 9.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -103.98 163.21 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -167.11 128.65 1.77 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.7 167.47 19.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -137.21 132.65 34.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.831 ' CD2' HD11 ' A' ' 51' ' ' ILE . 92.9 m-85 -118.28 156.29 50.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.39 43.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.912 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -132.2 132.53 43.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.73 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.0 m-85 -119.07 149.92 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.796 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -73.02 120.18 18.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.2 -153.67 23.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.445 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.51 107.5 15.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -98.0 157.66 15.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.915 HD22 HG12 ' A' ' 50' ' ' ILE . 7.3 tt -139.52 152.71 47.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 62' ' ' ILE . 4.1 mt -129.08 145.65 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -115.11 138.63 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -129.55 115.84 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 103.69 -156.53 17.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 8.3 ptp180 -83.47 -3.16 57.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.608 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p -50.79 -30.76 15.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.421 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG1' ' HB3' ' A' ' 52' ' ' PRO . 3.2 tp -64.53 -40.86 90.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 34' ' ' ARG . 2.7 pt-20 -81.01 -3.28 51.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.541 ' O ' HG22 ' A' ' 38' ' ' THR . 1.1 m -126.23 10.71 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' THR . 66.1 tp -81.2 167.29 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 3.5 mm-40 -117.15 157.88 25.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -128.35 162.02 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.65 -100.13 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -79.83 -13.23 59.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.05 9.65 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -88.75 41.61 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -49.01 -47.47 74.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.611 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.03 164.1 33.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.31 -19.83 18.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -148.45 120.25 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.915 HG12 HD22 ' A' ' 29' ' ' LEU . 14.5 mt -111.66 112.76 41.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.831 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -107.92 109.42 62.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.555 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 164.02 34.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' VAL . 19.0 t -133.16 76.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.8 p -78.06 4.01 13.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.732 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -92.72 16.32 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.424 ' OG ' HD13 ' A' ' 32' ' ' LEU . 46.2 p -120.87 145.54 47.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.04 -6.95 47.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 176.14 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 2.0 m-20 -117.71 167.4 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 135.66 172.36 12.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ILE . 3.1 mp -140.71 138.39 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.675 HG22 HD12 ' A' ' 30' ' ' ILE . 10.9 mt -113.96 163.63 10.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.482 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 79.5 m-85 -130.49 141.61 50.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -149.04 125.88 11.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.445 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.0 m -123.77 135.62 53.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.912 ' CD1' HD11 ' A' ' 23' ' ' LEU . 28.0 pt -129.41 139.97 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m -103.93 152.18 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.71 -15.98 23.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -81.94 4.55 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' HD12 ' A' ' 71' ' ' ILE . 7.9 m-80 74.9 41.02 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' O ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -115.07 104.65 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.438 ' CB ' HG22 ' A' ' 66' ' ' ILE . 22.1 p -95.53 155.67 16.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -157.66 111.75 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.04 ' CE1' HD13 ' A' ' 84' ' ' ILE . 15.5 m-85 -92.78 159.65 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -173.94 137.13 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.01 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -82.26 159.9 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -60.25 -14.09 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -1.82 21.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.03 27.79 51.91 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 75' ' ' SER . 1.1 tt0 -118.25 137.21 53.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.424 ' HA ' ' OG ' ' A' ' 75' ' ' SER . 11.3 pt20 -82.56 121.71 27.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 84' ' ' ILE . 4.1 mt -77.58 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -68.97 119.81 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.04 HD13 ' CE1' ' A' ' 74' ' ' PHE . 1.6 tt -152.6 161.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.432 ' N ' ' CG1' ' A' ' 84' ' ' ILE . 42.3 m-20 -149.76 159.58 44.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -10.42 39.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -51.21 66.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.2 m-85 -117.86 -26.55 6.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 111.038 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.697 ' OD1' HD11 ' A' ' 84' ' ' ILE . 41.5 t-20 34.35 41.39 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.2 p -140.14 162.17 35.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' A' ' 74' ' ' PHE . 3.8 p90 -165.26 162.06 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -118.69 128.28 54.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -149.51 140.12 22.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.475 ' OD2' ' CD1' ' A' ' 32' ' ' LEU . 25.9 m-20 60.09 20.07 9.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.41 -26.21 12.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 97' ' ' SER . 2.3 mp -69.41 163.27 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.493 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -128.6 100.14 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.446 ' HD2' HG22 ' A' ' 11' ' ' VAL . 16.1 m-85 -91.21 149.49 21.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -155.86 121.37 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.606 HD22 ' HA ' ' A' ' 9' ' ' LEU . 6.9 mt -96.25 106.57 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -80.19 136.7 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 3.1 p-10 -133.16 131.47 40.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.2 tmm? -176.3 159.42 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -48.61 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.19 164.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 t0 59.94 109.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -44.07 167.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.61 53.24 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.78 118.59 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.898 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.73 165.06 49.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.95 51.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.63 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -142.78 174.76 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.91 145.39 7.4 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -94.85 146.16 24.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.3 OUTLIER -136.93 118.99 15.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.458 ' CG1' HG21 ' A' ' 96' ' ' ILE . 20.9 t -113.41 111.91 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.57 132.08 54.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD21 ' HB2' ' A' ' 55' ' ' ASP . 2.0 mp -92.82 154.96 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -74.97 -19.86 59.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.587 1.179 . . . . 0.0 110.326 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -68.96 -6.37 27.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.16 24.57 9.55 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.14 164.35 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 0.797 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -157.52 128.21 2.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.05 166.75 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.11 138.81 28.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.883 ' CD2' HD11 ' A' ' 51' ' ' ILE . 96.4 m-85 -123.98 156.19 66.2 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.64 32.81 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.504 1.791 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.2 tm? -117.95 135.58 54.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.8 m-85 -118.75 154.7 32.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.898 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -83.32 117.19 22.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.95 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 132.92 -154.93 21.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -74.74 128.43 35.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' LEU . 97.1 m-20 -131.38 156.29 45.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 62' ' ' ILE . 9.5 tp -135.02 153.56 52.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.4 mp -128.59 139.31 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.651 HG13 ' CD1' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -106.18 147.67 11.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -132.27 123.86 27.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.2 -155.98 29.12 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.411 1.069 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 38' ' ' THR . 72.5 mtt180 -82.04 1.66 34.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.616 0.833 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.545 ' CG2' HD11 ' A' ' 61' ' ' ILE . 3.6 m -45.45 -27.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.346 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.892 HD12 ' HB3' ' A' ' 52' ' ' PRO . 12.0 tt -75.24 -46.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -12.27 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 34' ' ' ARG . 3.0 t -125.18 18.5 8.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 63.5 tp -89.79 167.8 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 33.2 mt-10 -105.87 157.84 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.381 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -127.27 162.94 25.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.27 -89.78 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -7.49 53.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.81 9.76 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -86.16 45.71 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.573 1.171 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -74.82 -48.5 4.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.942 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -74.95 161.35 39.04 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.822 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.19 -21.17 50.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -171.06 136.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' CG1' ' HG2' ' A' ' 47' ' ' PRO . 40.8 mt -113.77 148.66 16.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.883 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -136.88 111.3 9.45 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.892 ' HB3' HD12 ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.03 161.2 39.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.811 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.3 t -133.1 62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 p -76.46 4.35 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.432 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.9 p30 -87.75 15.81 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.6 t -121.62 152.13 39.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -86.91 -9.13 56.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.277 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.52 168.91 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.567 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -122.27 153.79 38.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.339 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 157.81 -172.63 35.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.416 1.073 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.651 ' CD1' HG13 ' A' ' 31' ' ' VAL . 15.5 mm -137.1 166.88 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 0.734 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.6 mt -149.8 163.13 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 9.2 m-85 -126.71 146.35 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -147.26 112.72 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.64 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -112.85 113.76 25.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.429 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.529 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -114.14 141.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.537 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 6.0 t -96.48 170.55 9.14 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.567 1.167 . . . . 0.0 110.067 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -81.77 -13.77 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.9 OUTLIER -82.83 8.61 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.9 t30 81.46 46.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 11.0 mm -110.87 145.55 17.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -135.49 118.41 16.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 108.286 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.88 131.69 53.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.847 ' CG ' HG21 ' A' ' 84' ' ' ILE . 28.5 m-85 -106.31 154.89 20.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.512 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -161.89 166.44 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -104.66 154.88 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 109.24 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -64.84 -11.23 35.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -76.97 0.3 21.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.54 29.52 35.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CB ' ' OD1' ' A' ' 76' ' ' ASP . 13.8 mm-40 -117.5 162.53 17.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.793 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -94.9 153.5 17.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.092 . . . . 0.0 110.338 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.512 HD12 ' C ' ' A' ' 75' ' ' SER . 58.3 mt -127.87 116.26 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -81.39 120.5 25.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.82 144.13 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.546 ' O ' HD12 ' A' ' 84' ' ' ILE . 3.1 m120 -74.05 131.5 41.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -21.12 39.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -77.29 -22.32 52.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.77 -24.01 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 81.7 m-20 39.62 44.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -151.06 155.21 38.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.603 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 6.9 p90 -146.21 174.52 11.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 6.0 tt0 -132.67 143.37 49.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 7.8 t80 -162.43 145.59 11.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 54.76 21.97 3.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.59 -28.11 7.29 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.394 1.059 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.6 mp -70.51 161.58 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.442 0.731 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -117.41 142.6 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 3.4 m-85 -124.53 152.61 43.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -156.42 122.76 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.124 HD11 HD23 ' A' ' 9' ' ' LEU . 2.0 mm? -102.99 108.73 20.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -80.04 146.19 32.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.571 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 10.6 p-10 -126.31 160.24 30.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.7 144.03 30.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.0 ptt-85 -41.57 158.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.232 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -111.79 143.12 43.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.47 -53.21 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 p -169.47 139.65 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 3' ' ' ASN . 2.5 t-20 -127.87 60.98 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.863 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -114.51 116.99 29.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.234 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.61 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -61.71 152.03 76.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' MET . 18.3 Cg_endo -74.95 48.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.053 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.3 m-85 -133.99 165.65 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -153.59 149.97 28.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.251 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.652 HD13 HG21 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -93.0 151.32 19.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -135.21 136.67 41.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.354 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.538 HG11 HG13 ' A' ' 53' ' ' VAL . 3.0 t -136.89 108.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.1 OUTLIER -109.42 135.58 50.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 55' ' ' ASP . 7.8 mp -98.96 155.21 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -69.52 -23.87 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -68.63 -6.82 28.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 24.89 10.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.06 162.26 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -161.39 150.31 19.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.513 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -150.9 163.35 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 mp0 -141.3 152.21 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.614 ' CD2' HD11 ' A' ' 51' ' ' ILE . 12.0 m-85 -146.87 157.06 47.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.94 -170.6 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.053 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -174.3 140.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.863 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.3 m-85 -109.92 142.86 40.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -57.35 118.89 5.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.26 -155.73 23.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.138 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' GLU . 57.9 m-80 -71.58 126.81 30.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.742 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -125.01 156.86 37.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 28' ' ' ASN . 24.5 mt -133.32 148.22 51.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 51' ' ' ILE . 41.2 mt -126.25 104.88 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.825 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -72.88 152.73 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.077 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.25 121.81 24.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.23 -156.02 51.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -83.71 0.83 45.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.741 HG21 HG12 ' A' ' 61' ' ' ILE . 22.0 m -45.19 -28.72 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.376 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.759 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.2 tt -66.92 -40.5 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -58.78 -14.92 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.31 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.8 t -137.13 19.74 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 40' ' ' GLU . 58.6 tp -80.06 164.76 23.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' H ' HD12 ' A' ' 39' ' ' LEU . 17.6 mt-10 -116.75 163.71 15.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -135.89 164.14 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -119.65 161.38 14.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -87.97 -34.99 17.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 0.827 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.42 9.81 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -122.44 36.42 4.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.335 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -67.37 116.97 42.27 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.77 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo -74.93 156.23 43.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.776 . . . . 0.0 111.07 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.3 tp10 -76.1 -24.38 55.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.477 ' OD1' ' CE1' ' A' ' 24' ' ' TYR . 23.5 t30 178.21 131.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.77 HD11 ' HG2' ' A' ' 47' ' ' PRO . 14.2 mt -111.41 144.35 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.652 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -136.14 113.42 10.52 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.527 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.05 151.25 39.06 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.648 ' HB ' HD22 ' A' ' 32' ' ' LEU . 32.0 t -122.45 69.58 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -78.14 4.23 13.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.821 ' O ' HD21 ' A' ' 13' ' ' LEU . 4.2 p30 -87.92 15.34 7.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.2 t -113.41 138.14 50.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -7.35 38.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 -176.0 3.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.921 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 29.1 p30 -126.66 174.08 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.81 -171.7 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.825 ' CD1' HG22 ' A' ' 31' ' ' VAL . 19.9 mm -141.57 151.04 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 0.8 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 5.3 mt -139.98 163.85 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 13.7 m-85 -128.63 142.32 51.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -148.96 117.89 6.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.1 m -118.09 136.2 53.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.35 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 25' ' ' TYR . 1.0 OUTLIER -132.76 115.96 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.14 155.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 109.972 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -61.9 -14.49 34.63 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 66.4 m-20 -84.05 1.6 43.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.2 t-20 79.66 35.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 36.1 mm -104.35 103.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.4 p -93.03 151.9 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -157.1 120.56 4.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.906 ' CD1' HG21 ' A' ' 84' ' ' ILE . 12.9 m-85 -101.71 155.08 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.463 ' HG ' ' C ' ' A' ' 80' ' ' GLU . 3.1 t -163.59 150.94 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.515 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -91.58 157.74 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -59.39 -14.76 13.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.05 -3.64 27.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.94 26.61 44.37 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.538 1.149 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.463 ' C ' ' HG ' ' A' ' 75' ' ' SER . 0.1 OUTLIER -117.97 129.47 55.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -74.84 133.41 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.515 HD11 ' OD2' ' A' ' 76' ' ' ASP . 5.7 mt -100.53 131.79 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -84.32 120.29 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.906 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.28 142.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -78.59 104.39 9.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.221 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -58.42 -21.47 50.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -70.42 -24.41 62.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -116.09 -20.57 9.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 43.66 55.32 5.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -167.02 163.66 15.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.597 1.186 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 4.0 p90 -155.86 175.38 14.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -135.87 148.71 48.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.21 147.19 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 57.54 24.02 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.44 -30.51 5.61 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.517 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.33 163.51 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.498 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -123.01 108.99 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE1' HG22 ' A' ' 96' ' ' ILE . 25.0 m-85 -92.89 158.81 15.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -160.28 132.33 6.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.543 HD11 HD23 ' A' ' 9' ' ' LEU . 3.1 mm? -109.36 105.63 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.99 146.28 26.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 51.2 p-10 -129.1 161.03 30.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -132.37 162.3 31.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.072 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.85 99.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.32 171.54 15.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -116.73 126.78 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -52.56 -179.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -119.65 64.99 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.595 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.93 117.07 29.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.843 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -62.27 166.01 7.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -75.01 48.73 2.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' HB3' HD23 ' A' ' 23' ' ' LEU . 45.8 m-85 -147.43 157.67 43.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -144.83 147.22 32.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.882 HD23 HD11 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -95.34 148.45 22.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.65 146.73 38.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 ' CE2' ' A' ' 98' ' ' PHE . 4.7 t -138.88 118.02 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -118.01 134.68 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.9 mp -97.73 158.16 15.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 p -72.97 -22.27 60.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.401 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -6.64 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.28 25.95 9.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.575 1.172 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.79 160.28 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -158.22 142.08 8.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.93 165.24 28.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -139.83 147.17 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' CG ' HD11 ' A' ' 51' ' ' ILE . 65.7 m-85 -137.04 156.08 75.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -74.99 150.41 38.13 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.056 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -128.22 128.83 45.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.056 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -111.66 143.27 42.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.843 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -63.13 129.77 41.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' O ' ' OD1' ' A' ' 28' ' ' ASN . . . 125.96 -155.66 19.26 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.543 1.152 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.926 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m-20 -77.01 129.75 36.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -131.3 156.16 45.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.303 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.981 HD12 ' HG3' ' A' ' 47' ' ' PRO . 95.6 mt -138.82 150.63 46.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.513 HD12 ' CG2' ' A' ' 62' ' ' ILE . 19.9 mt -118.27 120.97 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.998 HG11 ' HB ' ' A' ' 36' ' ' ILE . 6.4 t -89.64 107.25 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.4 OUTLIER -104.34 96.84 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 132.69 -176.78 19.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.9 ptt-85 -82.31 1.6 36.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 61' ' ' ILE . 31.0 m -45.48 -40.17 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.998 ' HB ' HG11 ' A' ' 31' ' ' VAL . 15.7 tt -54.8 -47.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.52 -25.42 16.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -98.94 -19.33 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -82.3 176.85 9.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.91 175.9 8.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.229 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -128.19 172.56 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.17 -101.59 2.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.69 -8.55 56.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.229 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -97.98 9.91 41.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.231 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -85.19 45.9 1.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.527 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -44.32 -49.32 24.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 110.995 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.981 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.1 Cg_endo -75.04 161.92 37.87 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.575 1.829 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.04 -20.83 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -169.88 125.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.37 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 tt -112.45 126.69 69.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.695 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -118.2 108.15 42.48 Favored Pre-proline 0 C--N 1.327 -0.406 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.545 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 167.24 27.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.951 ' HB ' HD22 ' A' ' 32' ' ' LEU . 2.8 t -134.37 82.49 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.585 1.178 . . . . 0.0 109.235 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.3 p -78.13 4.1 13.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.774 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -96.24 16.12 19.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.556 ' OG ' HD13 ' A' ' 32' ' ' LEU . 93.2 p -131.06 148.29 52.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 110.043 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -9.75 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.0 t -77.08 169.67 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.054 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -126.87 138.79 53.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.587 1.179 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.606 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 152.43 174.31 22.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.668 HD11 HG21 ' A' ' 35' ' ' THR . 3.8 mp -138.69 122.4 20.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.513 ' CG2' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -94.79 164.07 2.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.646 ' HA ' HD23 ' A' ' 29' ' ' LEU . 3.8 m-85 -114.92 142.15 46.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -150.14 104.48 3.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.926 HG23 ' HA ' ' A' ' 27' ' ' ASN . 24.5 m -115.29 131.24 56.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.988 HD11 HD11 ' A' ' 23' ' ' LEU . 1.7 pt -124.8 144.77 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.503 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -99.44 155.95 17.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -12.0 53.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.639 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.91 18.91 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 1.8 m120 67.19 48.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -114.22 151.84 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.773 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.2 p -135.43 145.46 47.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -150.48 113.67 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 0.0 110.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.836 ' CG ' HG21 ' A' ' 84' ' ' ILE . 6.0 m-85 -101.0 154.64 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.8 m -162.66 162.78 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.163 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.578 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -106.67 160.98 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 29.3 tt0 -56.6 -16.01 5.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.17 1.48 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.55 26.61 69.38 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 3.4 mt-10 -117.66 128.94 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -71.69 134.11 46.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.578 HD11 ' OD2' ' A' ' 76' ' ' ASP . 6.9 mt -100.42 124.75 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -75.09 120.48 20.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.836 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -114.1 134.79 55.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 1.065 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.698 ' O ' HD12 ' A' ' 84' ' ' ILE . 5.2 m120 -59.92 129.88 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -80.67 -26.49 37.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.3 -16.71 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' A' ' 85' ' ' ASN . 21.4 m-85 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 65.0 m-20 42.6 56.77 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.6 p -164.41 -177.5 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 98' ' ' PHE . 14.6 p90 -170.87 176.02 4.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 3.6 tt0 -139.67 134.54 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.279 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -157.37 147.27 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.1 20.94 11.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.95 -21.14 25.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.56 ' CG2' ' CE1' ' A' ' 98' ' ' PHE . 9.3 mt -73.46 164.81 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.512 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -128.31 97.19 4.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.725 ' CE2' HG13 ' A' ' 11' ' ' VAL . 59.9 m-85 -91.99 155.81 17.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.522 ' CE1' ' HG2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.66 142.91 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.562 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.882 HD11 HD23 ' A' ' 9' ' ' LEU . 3.9 mm? -114.07 105.05 12.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -80.01 145.78 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -124.72 146.53 49.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 13.2 mtp -115.01 154.4 28.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -76.21 -62.62 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -50.76 160.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -177.37 163.52 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -169.47 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -106.34 82.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -113.9 118.13 33.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB3' HD21 ' A' ' 23' ' ' LEU . . . -60.87 152.22 70.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.94 42.23 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.459 1.768 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 102' ' ' ASN . 3.1 m-30 -114.46 -176.35 2.88 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -161.19 137.1 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.339 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD23 ' HG ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -106.74 141.3 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ASP . 5.4 mp -136.8 141.3 42.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.628 HG13 HG21 ' A' ' 96' ' ' ILE . 76.5 t -135.58 107.84 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -100.0 131.26 46.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.783 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -104.65 164.59 11.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.547 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.35 -20.57 55.68 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 8.4 t-20 -68.92 7.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.75 19.48 71.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.437 1.086 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.783 ' HB ' HD21 ' A' ' 13' ' ' LEU . 45.0 t -103.68 169.37 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.545 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -154.71 131.3 3.11 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -113.84 134.11 54.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 27.8 tt0 -111.36 115.5 29.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.861 ' CG ' HD11 ' A' ' 51' ' ' ILE . 49.2 m-85 -108.09 157.56 35.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.1 Cg_endo -75.01 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.063 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -161.72 146.32 13.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 4' ' ' LEU . 6.5 m-85 -120.88 143.52 48.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -62.83 113.29 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.69 -154.84 22.31 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.863 ' HA ' HG23 ' A' ' 65' ' ' THR . 3.5 m120 -72.27 133.81 45.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 0.799 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -132.24 157.21 44.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 HD12 ' HE1' ' A' ' 63' ' ' TYR . 9.8 tt -131.64 152.64 50.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.954 HD12 HG22 ' A' ' 62' ' ' ILE . 15.1 mt -127.59 146.59 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.803 HG11 ' HB ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -118.3 140.19 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.387 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD22 ' HB ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -130.29 108.98 10.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.02 -156.42 18.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' GLU . 1.4 ptm180 -82.98 -1.95 53.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.928 ' HB ' HD11 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -46.07 -34.05 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.844 HD12 ' HB3' ' A' ' 52' ' ' PRO . 7.0 tt -62.35 -43.18 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -65.3 -9.86 27.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 35' ' ' THR . 8.9 t -134.18 20.1 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.43 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD12 ' H ' ' A' ' 40' ' ' GLU . 54.7 tp -82.63 164.42 20.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' H ' HD12 ' A' ' 39' ' ' LEU . 6.2 mp0 -128.91 169.15 14.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -136.8 165.34 26.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.17 -178.53 18.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -95.02 -54.16 3.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.26 9.37 17.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.17 44.52 2.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.219 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CD1' ' HD2' ' A' ' 47' ' ' PRO . 49.0 t80 -106.66 140.16 21.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 18.5 Cg_endo -74.95 163.58 35.13 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.0 tp10 -58.41 -37.78 76.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -174.3 142.99 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG12 HD22 ' A' ' 29' ' ' LEU . 3.2 mt -106.44 148.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.861 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -134.03 111.54 12.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.844 ' HB3' HD12 ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.05 163.3 35.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.669 ' HB ' HD22 ' A' ' 32' ' ' LEU . 22.6 t -133.21 74.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.5 p -78.18 3.98 13.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.755 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.66 15.76 9.01 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 96' ' ' ILE . 86.7 p -121.11 150.68 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 tttp -95.91 -1.9 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 3.8 m -113.69 172.76 6.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.53 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 1.3 p30 -109.47 177.61 4.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 131.56 173.24 13.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.7 mp -136.69 149.72 26.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.954 HG22 HD12 ' A' ' 30' ' ' ILE . 7.9 mt -129.45 164.28 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HE1' HD12 ' A' ' 29' ' ' LEU . 15.5 m-85 -125.39 143.91 50.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.819 HD12 ' N ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -149.25 120.45 7.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.863 HG23 ' HA ' ' A' ' 27' ' ' ASN . 91.8 m -125.59 136.26 53.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.647 HD12 HD23 ' A' ' 23' ' ' LEU . 1.8 mt -132.66 141.72 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m -104.21 149.85 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -60.27 -15.55 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 44.0 m-20 -81.27 1.8 30.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.621 ' C ' HD12 ' A' ' 71' ' ' ILE . 15.0 t-20 79.2 40.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.621 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -114.91 104.47 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.37 153.39 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.262 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.47 118.74 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CD1' HG21 ' A' ' 84' ' ' ILE . 16.6 m-85 -93.85 161.96 14.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.41 165.34 26.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -109.02 153.72 23.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 3.0 tm-20 -62.57 -12.34 22.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -4.07 27.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.04 25.12 38.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.582 1.176 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -117.69 162.1 18.59 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.429 0.723 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -90.12 154.61 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 110.362 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 92.8 mt -125.31 121.73 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.41 120.52 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.07 143.87 18.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ASN . 17.6 m-20 -76.72 126.52 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 t -77.73 -21.06 52.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.01 -19.36 51.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -116.34 -24.37 7.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 85' ' ' ASN . 79.0 m-20 44.31 38.58 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.86 151.47 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.5 p90 -142.8 176.33 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -131.09 146.79 52.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.323 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -165.44 139.84 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.57 21.08 8.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.26 -28.9 8.86 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.628 HG21 HG13 ' A' ' 11' ' ' VAL . 1.6 mp -66.56 162.38 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -124.4 104.94 9.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.902 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 50.9 m-85 -83.84 159.29 21.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -160.41 116.18 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.565 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' HD23 ' A' ' 9' ' ' LEU . 7.0 mp -110.3 117.68 34.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 144.32 26.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 0.8 OUTLIER -127.66 135.84 50.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 51.3 ttm -103.09 89.7 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.51 162.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -141.54 111.22 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.53 -60.67 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.384 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.9 tttt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -169.04 95.37 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -161.19 147.25 14.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.27 118.86 34.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.827 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.81 163.49 64.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.92 53.08 3.19 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.662 ' HB2' HD12 ' A' ' 23' ' ' LEU . 41.8 m-85 -142.22 173.17 11.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -160.88 141.93 11.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -91.75 147.04 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 99' ' ' HIS . 4.5 mp -135.93 114.59 11.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.604 ' CG1' HG21 ' A' ' 96' ' ' ILE . 38.1 t -103.44 107.72 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.56 132.69 51.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.062 . . . . 0.0 109.27 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.842 HD21 ' CB ' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -99.06 162.93 12.79 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.545 1.153 . . . . 0.0 109.233 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.437 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -73.77 -22.38 59.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -5.48 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.356 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.09 25.81 10.89 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 t -95.79 160.55 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -160.18 103.95 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.106 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.78 164.82 11.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.46 134.02 37.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.892 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.4 m-85 -121.96 158.05 55.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 139.08 24.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.591 1.837 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -111.71 134.59 53.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.786 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.1 m-85 -118.2 155.31 30.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.827 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -82.74 120.76 26.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.07 -154.78 18.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.654 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -72.16 131.21 42.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 0.783 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.579 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.3 m-20 -125.57 157.77 36.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD23 ' N ' ' A' ' 30' ' ' ILE . 8.6 tt -131.24 152.45 50.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.963 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.3 mp -132.04 144.23 37.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.848 ' HA ' HD13 ' A' ' 61' ' ' ILE . 1.1 t -114.01 148.98 16.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.905 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.21 124.69 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 71.11 -155.44 52.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -83.29 1.62 40.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.688 HG21 HG12 ' A' ' 61' ' ' ILE . 19.3 m -46.62 -26.11 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.378 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.725 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.4 tt -71.84 -40.33 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ARG . 14.3 mt-10 -57.97 -14.86 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -136.28 20.32 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.379 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 HD12 ' H ' ' A' ' 40' ' ' GLU . 52.5 tp -79.6 165.03 23.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.542 ' H ' HD12 ' A' ' 39' ' ' LEU . 3.2 mm-40 -125.16 169.52 12.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -137.36 168.48 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.95 -175.05 13.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -95.15 -54.08 3.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.14 9.56 35.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -118.18 40.68 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.543 1.152 . . . . 0.0 109.227 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.29 115.65 65.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.585 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.0 Cg_endo -75.06 159.59 40.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 110.953 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.44 -24.87 63.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.602 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 18.9 t-20 -174.99 140.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.66 HG23 HD22 ' A' ' 29' ' ' LEU . 3.0 mt -112.42 147.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.892 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -138.24 108.92 8.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.549 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 161.09 39.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.413 1.744 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.905 ' HB ' HD22 ' A' ' 32' ' ' LEU . 76.2 t -134.49 64.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.4 p -75.47 3.6 8.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.842 ' CB ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.58 16.48 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.539 ' HA ' HD11 ' A' ' 96' ' ' ILE . 32.0 t -107.41 149.58 27.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -82.51 3.76 27.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.375 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -136.27 168.81 18.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.9 164.73 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 154.61 -168.83 32.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.415 1.072 . . . . 0.0 111.034 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.848 HD13 ' HA ' ' A' ' 31' ' ' VAL . 17.6 mm -143.78 149.33 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.952 HG22 HD13 ' A' ' 30' ' ' ILE . 12.1 mt -134.53 162.48 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 37.8 m-85 -130.52 144.09 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.963 ' HB3' HD11 ' A' ' 30' ' ' ILE . 1.4 tp -150.07 130.33 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.654 HG23 ' HA ' ' A' ' 27' ' ' ASN . 96.9 m -127.93 138.57 52.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.381 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -131.74 144.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 66' ' ' ILE . 1.4 m -103.16 152.48 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.1 mttt -64.41 -12.19 40.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.1 m-20 -80.94 5.51 16.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.2 t-20 80.55 41.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -110.26 148.66 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 5.0 p -135.14 145.52 47.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 137.38 16.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.583 ' CG ' HG21 ' A' ' 84' ' ' ILE . 21.9 m-85 -110.7 163.95 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.446 ' C ' HD12 ' A' ' 82' ' ' ILE . 2.5 p -166.67 158.77 13.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 153.54 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.57 32.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -4.16 30.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.74 28.06 30.3 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.27 161.18 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -104.1 129.51 51.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.357 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.446 HD12 ' C ' ' A' ' 75' ' ' SER . 6.3 mt -101.89 113.48 38.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -72.25 123.41 22.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.583 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -125.85 146.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.444 ' O ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -75.09 118.37 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 m -71.13 -18.27 62.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -75.29 -22.55 57.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.37 -24.32 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 6.7 t-20 39.98 59.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.93 158.28 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.062 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -170.79 178.02 3.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -137.64 153.07 49.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -167.52 143.22 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.953 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 60.99 26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.232 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.03 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.747 HG23 HD12 ' A' ' 13' ' ' LEU . 5.7 mm -68.67 153.76 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -124.61 94.68 4.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 74.7 m-85 -76.23 158.09 31.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' CD2' HD13 ' A' ' 10' ' ' LEU . 17.1 t60 -159.23 119.0 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 3.0 mm? -100.98 105.15 16.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -100.22 146.02 27.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -85.1 115.9 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -69.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 tpp180 -171.37 104.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.91 123.47 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.18 -54.7 2.44 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -167.86 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.995 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -105.32 126.59 52.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.88 120.4 39.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.831 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -68.14 164.4 42.57 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -75.1 52.7 3.17 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.7 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -138.9 168.32 20.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -152.88 137.14 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.798 HD23 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -94.66 148.69 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.972 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -138.09 137.67 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.67 HG11 ' OD1' ' A' ' 55' ' ' ASP . 91.0 t -129.65 114.45 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 13.1 ptpt -111.69 130.35 55.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.946 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.7 mp -98.11 158.71 15.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.454 ' H ' HG23 ' A' ' 14' ' ' THR . 1.4 p -70.03 -22.41 63.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' HB3' HG23 ' A' ' 17' ' ' VAL . 1.6 t-20 -68.77 -5.59 21.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.71 25.11 16.02 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.5 t -102.28 154.76 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -152.38 112.27 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.972 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.1 m-20 -108.46 168.25 9.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.529 0.782 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -141.07 135.97 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.911 ' CE2' HD11 ' A' ' 51' ' ' ILE . 91.6 m-85 -124.31 154.14 68.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.67 28.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -110.98 134.64 52.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.785 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.3 m-85 -118.57 154.32 32.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.831 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -82.61 114.27 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 66' ' ' ILE . . . 133.65 -155.38 21.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.73 ' HA ' HG23 ' A' ' 65' ' ' THR . 6.7 m-80 -69.44 116.12 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.553 ' ND2' ' CG2' ' A' ' 66' ' ' ILE . 13.7 m-20 -122.55 115.14 21.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -93.99 150.51 20.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 HG23 ' A' ' 51' ' ' ILE . 10.3 mt -125.61 108.24 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.688 HG21 ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -76.26 152.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -133.21 126.9 32.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 62.85 -151.53 47.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' GLU . 6.2 mtm180 -83.3 1.08 42.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 110.254 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.582 HG21 HG12 ' A' ' 61' ' ' ILE . 33.3 m -45.97 -25.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.375 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.688 ' HB ' HG21 ' A' ' 31' ' ' VAL . 4.0 tt -70.17 -41.2 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' ARG . 12.5 mt-10 -72.62 -3.49 25.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 35' ' ' THR . 1.2 t -138.03 19.69 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 40' ' ' GLU . 49.9 tp -80.48 164.5 22.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' H ' HD12 ' A' ' 39' ' ' LEU . 1.7 mp0 -111.8 161.45 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 40' ' ' GLU . 1.1 m-85 -135.01 157.44 46.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.23 -132.42 1.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.425 1.078 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -94.86 -9.81 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.81 11.43 39.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' C ' ' HD3' ' A' ' 47' ' ' PRO . 1.7 t-20 -80.96 47.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.504 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -133.44 58.73 35.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.722 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.05 164.01 34.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -80.6 -21.83 41.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.604 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.9 OUTLIER 176.36 133.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.722 HD11 ' HG2' ' A' ' 47' ' ' PRO . 7.7 mt -115.27 131.71 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.911 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -123.47 111.36 29.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.59 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.97 152.44 40.91 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.809 . . . . 0.0 111.013 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' VAL . 13.3 t -129.79 63.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -76.6 4.42 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.946 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -84.91 12.32 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.0 t -110.74 139.3 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.12 -13.02 31.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.5 m -117.03 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -128.81 175.82 8.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 147.72 -166.28 28.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.675 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.7 mm -141.16 159.61 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 0.71 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 30' ' ' ILE . 6.2 mt -148.36 159.13 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 77' ' ' GLU . 6.9 m-85 -119.01 141.45 48.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.055 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.88 94.22 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.73 HG23 ' HA ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -99.86 123.83 44.53 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.553 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -120.98 142.9 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.087 . . . . 0.0 109.258 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' N ' HG13 ' A' ' 66' ' ' ILE . 44.7 t -103.64 163.02 12.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 4.1 ttpt -71.36 -13.72 61.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.5 m-20 -82.3 2.43 32.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 3.9 t30 79.24 39.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.252 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 24.6 mm -114.87 104.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.29 140.62 33.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.02 119.9 11.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.791 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.5 m-85 -93.62 158.6 15.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.61 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -162.34 169.17 21.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.944 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.67 154.03 22.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -64.7 -11.05 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.47 -1.85 29.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.384 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.07 28.9 29.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' C ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -117.71 162.51 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 110.251 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.87 145.86 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 75' ' ' SER . 73.7 mt -117.33 117.81 56.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.94 120.78 26.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.791 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -118.24 142.55 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 84' ' ' ILE . 68.1 m-80 -69.67 124.16 23.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -15.77 58.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.976 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.38 -18.04 34.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.84 -25.02 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.475 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 78.6 m-20 41.71 54.64 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 71.2 m -157.83 165.58 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 3.7 p90 -161.63 168.76 22.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 8.6 tt0 -129.72 138.09 50.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.555 1.16 . . . . 0.0 110.294 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 1.3 t80 -157.87 141.11 15.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 59.56 22.26 10.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.4 -28.37 7.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.9 mp -66.11 163.39 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.497 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -125.73 117.74 24.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.754 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 51.3 m-85 -94.82 155.98 16.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 19.2 t60 -159.56 110.12 1.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.618 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.798 HD21 HD23 ' A' ' 9' ' ' LEU . 9.9 mp -106.12 103.23 12.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 13.6 tttt -133.89 148.34 51.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -66.4 140.64 58.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' A' ' 104' ' ' ARG . 3.2 tpp -164.28 84.63 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 103' ' ' MET . 2.0 ttm105 77.91 149.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.0 153.91 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.12 149.54 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.46 ' HA ' ' CE ' ' A' ' 107' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -168.83 -176.99 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -88.82 44.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.75 117.6 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.913 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -65.02 165.32 16.58 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.5 Cg_endo -74.91 51.91 2.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.496 1.787 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.619 ' HB2' HD12 ' A' ' 23' ' ' LEU . 39.6 m-85 -141.16 173.59 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.33 138.82 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 HD21 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.99 148.69 21.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.614 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 0.4 OUTLIER -140.95 144.4 35.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.648 HG13 HG21 ' A' ' 96' ' ' ILE . 53.0 t -140.24 116.0 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -109.71 142.97 40.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -104.42 156.26 18.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -56.93 -26.14 58.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.351 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.13 -7.64 37.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.82 20.81 30.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.1 t -84.92 170.44 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -163.38 129.77 2.09 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.557 1.16 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -130.2 129.43 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 109.253 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.25 119.38 39.33 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.646 ' CD2' HD11 ' A' ' 51' ' ' ILE . 73.3 m-85 -106.2 160.04 27.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.167 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -74.98 143.87 29.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.1 tm? -118.61 133.72 55.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.802 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.92 148.13 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.913 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -76.48 122.95 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -154.85 20.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HG23 ' A' ' 65' ' ' THR . 8.6 m120 -69.87 117.9 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 0.804 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -114.76 156.77 24.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.41 1.068 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 30' ' ' ILE . 2.3 tm? -132.12 150.52 52.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.58 1.175 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.997 ' N ' HD13 ' A' ' 29' ' ' LEU . 10.2 mt -133.72 112.85 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.926 HG11 ' HB ' ' A' ' 36' ' ' ILE . 43.8 t -91.51 144.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.762 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -125.93 116.88 22.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 94.13 -164.34 25.95 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.596 1.185 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.46 1.2 42.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.9 m -45.44 -36.97 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.926 ' HB ' HG11 ' A' ' 31' ' ' VAL . 4.2 tt -53.94 -43.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -39.04 91.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.28 4.14 47.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 39' ' ' LEU . 1.5 tp -93.01 176.63 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -112.13 173.57 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 46' ' ' PHE . 24.6 m-85 -127.57 170.31 12.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 164.09 37.19 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.412 1.07 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.98 -52.27 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.228 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.15 9.16 14.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -118.44 40.55 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' CG ' ' HD2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -143.43 171.67 6.63 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 46' ' ' PHE . 18.1 Cg_endo -75.06 155.64 42.64 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.504 1.792 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -57.14 -21.31 31.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 4.3 t-20 -169.82 130.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.632 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.9 tt -116.85 140.45 39.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.646 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -139.2 106.99 7.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.525 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 167.32 27.31 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.525 1.802 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.762 ' HB ' HD22 ' A' ' 32' ' ' LEU . 47.4 t -133.88 67.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.0 p -76.31 4.84 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.448 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.851 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.1 p30 -85.85 15.48 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 p -117.29 162.22 18.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.63 -2.81 43.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -122.61 173.62 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -108.61 177.75 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.238 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 148.49 175.22 20.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.565 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.69 HD13 ' HA ' ' A' ' 31' ' ' VAL . 19.0 mm -142.91 155.33 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.5 mt -149.18 157.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.179 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CD2' HD23 ' A' ' 29' ' ' LEU . 40.3 m-85 -124.11 144.95 49.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 1.1 tp -149.92 120.69 7.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.838 HG23 ' HA ' ' A' ' 27' ' ' ASN . 85.5 m -123.6 135.18 53.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.835 HG22 ' HA ' ' A' ' 72' ' ' CYS . 4.7 pt -131.33 144.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.501 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 23.0 t -98.67 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -75.54 -13.27 60.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 8.5 m-20 -79.56 5.68 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 10.6 m-20 79.78 42.33 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 1.1 mp -113.78 147.12 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.835 ' HA ' HG22 ' A' ' 66' ' ' ILE . 26.6 p -135.17 150.0 50.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -155.49 120.54 4.83 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.776 ' CG ' HG21 ' A' ' 84' ' ' ILE . 15.4 m-85 -94.34 162.31 13.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.591 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -161.3 166.31 27.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -106.36 157.76 17.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HB ' ' A' ' 61' ' ' ILE . 0.2 OUTLIER -66.47 -8.76 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 11.48 9.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.39 32.41 65.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.6 161.91 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -94.93 146.9 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.591 HD12 ' C ' ' A' ' 75' ' ' SER . 48.5 mt -122.62 130.79 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.385 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -97.35 120.27 37.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.776 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -108.71 141.79 23.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 109.196 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 89' ' ' ASN . 97.7 m-20 -66.03 133.91 51.77 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.3 p -81.18 -34.69 32.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -16.32 62.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.9 -24.79 7.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ASN . 14.7 m120 38.89 46.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.8 p -158.9 169.67 23.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.037 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.578 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.3 p90 -157.26 175.89 13.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 9.1 tt0 -135.82 143.48 45.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -166.44 147.8 6.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 58.92 21.21 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.78 -26.92 7.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.648 HG21 HG13 ' A' ' 11' ' ' VAL . 1.4 mp -71.34 161.81 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 0.804 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.473 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -119.95 107.7 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD2' HG22 ' A' ' 11' ' ' VAL . 45.2 m-85 -93.11 149.22 21.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 10' ' ' LEU . 1.3 p-80 -156.62 134.63 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD21 HD23 ' A' ' 9' ' ' LEU . 6.8 mp -115.51 113.49 23.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -84.26 145.21 28.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.435 ' CG ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -120.22 159.01 25.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.72 -43.66 2.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 63.11 145.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -45.84 145.71 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -147.34 -60.75 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.5 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.26 72.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 39.9 t30 178.92 49.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.726 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -115.79 116.17 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.737 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -59.81 148.14 76.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 104' ' ' ARG . 18.4 Cg_endo -75.0 49.24 2.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.06 ' CB ' HD21 ' A' ' 23' ' ' LEU . 30.4 m-85 -134.33 165.82 24.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.73 146.82 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.643 HD21 ' CG2' ' A' ' 11' ' ' VAL . 9.1 tt -94.8 156.47 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.62 136.55 36.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.643 ' CG2' HD21 ' A' ' 9' ' ' LEU . 41.9 t -132.59 110.34 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -101.93 144.28 30.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 55' ' ' ASP . 5.8 mp -103.01 152.98 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -62.83 -24.6 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -9.06 46.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.13 22.04 16.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.2 t -95.97 163.4 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -150.97 141.99 9.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.852 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -137.2 167.94 20.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.86 151.86 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.605 ' CG ' HD11 ' A' ' 51' ' ' ILE . 80.4 m-85 -145.68 154.36 51.95 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.88 2.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.06 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -171.4 137.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.726 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 7.3 m-85 -106.64 142.97 35.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -58.57 114.07 2.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.14 -154.1 22.67 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.568 1.168 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.597 ' HA ' HG23 ' A' ' 65' ' ' THR . 2.5 m120 -72.28 132.67 44.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.71 157.67 39.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.67 HD23 HG23 ' A' ' 50' ' ' ILE . 5.7 tt -135.02 152.69 51.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.791 HD12 HG22 ' A' ' 62' ' ' ILE . 4.7 mt -128.02 146.95 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG21 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -117.23 147.18 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 60' ' ' GLY . 4.3 tp -132.95 134.74 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 80.36 -148.99 30.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -84.8 -7.47 59.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.308 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.538 ' HB ' HD11 ' A' ' 61' ' ' ILE . 68.8 p -46.44 -30.13 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.556 HD13 HG21 ' A' ' 31' ' ' VAL . 3.4 tp -63.0 -37.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ARG . 18.8 mt-10 -79.13 -3.01 43.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.8 p -135.47 20.17 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 1.085 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' THR . 65.6 tp -79.18 164.76 23.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 35.8 mt-10 -129.22 166.87 18.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.449 ' HB3' ' CD1' ' A' ' 46' ' ' PHE . 2.3 m-85 -137.24 163.55 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.98 179.59 16.19 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -93.05 -54.64 3.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.03 8.65 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -123.35 34.54 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CD1' ' HD2' ' A' ' 47' ' ' PRO . 61.9 t80 -105.63 145.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.568 ' HD2' ' CD1' ' A' ' 46' ' ' PHE . 18.0 Cg_endo -75.04 163.92 34.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -26.18 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.183 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.584 ' HB3' ' CD1' ' A' ' 24' ' ' TYR . 1.8 p-10 -178.67 143.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.67 HG23 HD23 ' A' ' 29' ' ' LEU . 8.9 mt -113.49 148.16 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.63 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -136.82 110.3 9.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.599 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.0 Cg_endo -75.08 159.35 41.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' CG1' ' OD1' ' A' ' 55' ' ' ASP . 59.4 t -135.59 71.86 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 p -79.09 5.08 12.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.742 ' HB2' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -81.37 6.68 13.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.414 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.4 m -108.33 154.52 21.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -89.36 -13.32 38.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.461 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.25 -171.9 2.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -135.22 153.3 51.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.506 ' N ' HD23 ' A' ' 32' ' ' LEU . . . 164.08 -160.62 33.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.1 mp -152.29 156.24 6.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.791 HG22 HD12 ' A' ' 30' ' ' ILE . 8.0 mt -137.78 164.31 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.5 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 24.3 m-85 -126.1 141.48 51.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.899 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -150.06 122.63 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.359 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.899 ' N ' HD12 ' A' ' 64' ' ' LEU . 24.3 m -125.81 139.3 53.61 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.782 HD11 HD13 ' A' ' 23' ' ' LEU . 1.2 pt -134.03 143.65 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 71' ' ' ILE . 1.0 OUTLIER -104.54 153.79 20.73 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 3.6 tttp -66.05 -11.01 45.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 4.8 m-20 -82.79 5.95 19.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 21.0 t-20 81.02 37.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 66' ' ' ILE . 17.7 mm -104.9 147.65 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.619 ' HA ' HG22 ' A' ' 66' ' ' ILE . 22.6 p -135.56 146.83 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.42 136.24 12.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.785 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 7.2 m-85 -120.13 164.68 15.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.564 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 14.7 m -169.09 152.73 5.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.43 156.03 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.74 -19.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -67.6 -6.26 19.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.47 24.57 58.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -117.83 126.09 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.564 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 3.6 pt20 -66.75 131.47 46.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' ILE . 9.5 mt -86.21 141.19 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 p30 -70.92 120.66 16.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -153.09 151.07 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ASN . 3.2 m-80 -148.27 167.62 24.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.5 p -68.96 -11.02 60.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -51.5 67.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -118.54 -26.25 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.521 ' OD1' HD11 ' A' ' 84' ' ' ILE . 5.6 t30 34.17 44.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.1 t -148.04 173.71 12.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 36.7 p90 -174.35 176.52 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.67 144.35 37.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -166.27 146.83 6.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' OD2' ' CB ' ' A' ' 58' ' ' SER . 0.4 OUTLIER 62.2 26.19 15.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.13 -10.18 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.588 HG21 ' CG1' ' A' ' 11' ' ' VAL . 4.8 mm -88.9 157.82 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.309 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -120.2 95.43 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.028 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.586 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 78.5 m-85 -77.55 156.66 30.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.168 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 1.3 t60 -159.92 126.84 4.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -102.8 123.44 46.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.224 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 2.9 ttpt -125.42 146.17 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.507 ' OD1' ' CZ ' ' A' ' 7' ' ' PHE . 8.3 t30 -102.11 116.06 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 ttt -179.58 109.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 174.84 104.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 41.12 81.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -40.6 113.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.9 tttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.22 174.25 10.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 13.1 t30 55.75 33.84 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.529 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.96 118.03 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.866 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -67.86 166.11 26.02 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.75 3.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' HB2' HD12 ' A' ' 23' ' ' LEU . 32.9 m-85 -145.67 175.67 10.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.95 142.65 10.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -93.0 146.92 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.614 1.196 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -130.59 138.21 50.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 96' ' ' ILE . 34.4 t -136.65 119.62 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.371 1.044 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -123.16 139.82 53.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.8 mp -98.48 154.25 18.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.258 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -75.47 -19.67 59.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -68.5 -5.94 22.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.04 24.14 10.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.377 1.048 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -103.31 164.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -155.24 141.74 8.36 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.811 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -150.65 168.18 25.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 0.801 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CB ' HD22 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -144.69 159.62 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 1.011 ' CE2' HD11 ' A' ' 51' ' ' ILE . 92.3 m-85 -142.52 153.75 62.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' HD11 ' A' ' 9' ' ' LEU . 18.3 Cg_endo -74.94 144.65 30.72 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.833 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -112.34 136.02 52.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.761 ' N ' HD13 ' A' ' 23' ' ' LEU . 18.7 m-85 -118.38 156.85 28.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.866 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -84.37 120.45 26.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 66' ' ' ILE . . . 129.11 -155.32 20.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.424 1.078 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 64.2 m-80 -77.47 132.6 38.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.89 ' O ' HD23 ' A' ' 29' ' ' LEU . 2.1 m-20 -135.02 157.22 47.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.89 HD23 ' O ' ' A' ' 28' ' ' ASN . 14.2 mt -128.07 148.53 50.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.499 HD11 HD23 ' A' ' 64' ' ' LEU . 65.4 mt -123.71 104.93 14.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.941 HG22 HD11 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -75.43 144.42 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.836 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -131.99 107.73 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.548 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 101.48 -165.66 18.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.576 1.173 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.8 OUTLIER -84.09 -0.24 51.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 0.739 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.581 HG21 HD13 ' A' ' 61' ' ' ILE . 1.4 m -46.28 -24.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.578 ' HB ' HG11 ' A' ' 31' ' ' VAL . 6.1 tt -70.51 -40.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -58.82 -14.91 10.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.1 m -118.83 19.17 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.793 ' C ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -85.65 173.93 9.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 5.6 mt-10 -102.52 159.97 14.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -125.11 166.33 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.65 -53.82 4.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.09 -5.52 47.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD2' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -84.54 9.0 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -94.97 23.89 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -80.21 -48.54 1.28 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -75.01 163.09 36.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.56 1.821 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -64.67 -28.51 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.29 143.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 ' HG2' ' A' ' 47' ' ' PRO . 2.5 mp -111.58 113.93 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -95.18 111.16 53.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -74.98 156.57 43.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.836 ' HB ' HD22 ' A' ' 32' ' ' LEU . 15.2 t -133.1 62.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 p -75.03 4.38 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.786 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.3 p30 -82.55 9.89 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.415 ' OG ' HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -112.37 163.52 14.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.46 -5.87 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.06 154.29 27.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -99.09 176.74 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 133.34 169.8 12.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.941 HD11 HG22 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -126.57 160.99 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.425 0.721 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 23.8 mt -142.65 163.53 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 10.2 m-85 -122.41 143.64 49.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.83 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -150.39 114.92 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.801 ' N ' HD12 ' A' ' 64' ' ' LEU . 18.5 m -120.76 140.78 51.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG23 ' H ' ' A' ' 26' ' ' GLY . 0.7 OUTLIER -134.39 143.79 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 66' ' ' ILE . 0.8 OUTLIER -104.53 150.45 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -63.6 -12.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -84.34 2.97 37.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 4.7 t-20 80.23 39.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 19.6 mm -111.27 104.1 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.1 p -91.44 149.6 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 108.339 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.65 131.76 8.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.722 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 5.9 m-85 -112.94 165.19 12.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.48 ' N ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -166.26 146.25 6.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -98.86 154.41 18.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 61' ' ' ILE . 1.6 tt0 -54.98 -17.35 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.12 -8.16 28.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.02 24.91 42.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.424 1.077 . . . . 0.0 111.042 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.0 tt0 -117.93 157.27 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.361 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -97.83 114.69 26.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.082 . . . . 0.0 110.252 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 75' ' ' SER . 3.4 mt -67.76 140.82 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.03 121.47 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB2' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -152.29 146.59 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.433 ' N ' HG13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -150.42 -171.59 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.7 m -80.61 -15.98 55.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.82 -51.33 67.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 89' ' ' ASN . 50.0 m-85 -118.72 -25.67 6.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 88' ' ' PHE . 6.4 t-20 35.36 43.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.226 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 99' ' ' HIS . 36.0 p -157.13 -177.53 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.04 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.733 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 20.2 p90 -176.87 176.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.41 136.2 23.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -155.9 147.8 23.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' OD2' HD12 ' A' ' 32' ' ' LEU . 12.2 m-20 60.92 24.41 14.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.06 -26.82 9.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.514 ' CG2' HG13 ' A' ' 11' ' ' VAL . 4.6 mm -66.37 163.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.475 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -128.51 93.14 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.919 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.733 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 38.9 m-85 -79.19 153.82 29.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 101' ' ' LYS . 7.4 t60 -159.2 116.67 2.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.674 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 9' ' ' LEU . 1.5 mm? -101.79 116.12 32.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -120.86 146.02 47.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.374 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -71.13 164.58 25.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.3 mmt -137.12 110.32 7.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -80.8 90.29 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -45.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 t70 74.98 89.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -168.56 142.82 3.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.394 1.059 . . . . 0.0 110.005 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -104.77 39.26 1.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -115.48 118.91 34.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.859 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -70.05 165.0 47.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.0 Cg_endo -75.11 52.96 3.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' HB2' HD12 ' A' ' 23' ' ' LEU . 34.3 m-85 -145.59 175.24 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -158.25 147.09 19.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.94 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -99.75 147.1 25.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.04 141.97 42.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.706 HG11 HG13 ' A' ' 53' ' ' VAL . 60.6 t -136.93 110.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 9.7 ptmt -103.62 131.73 50.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -103.89 164.95 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -59.85 -19.71 52.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 3.6 m120 -69.5 7.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.411 1.07 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 68.1 20.0 72.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.723 ' HB ' HD21 ' A' ' 13' ' ' LEU . 58.8 t -103.85 169.26 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -153.35 135.55 4.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.579 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -117.82 123.48 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.14 115.03 28.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.915 ' CE2' HD11 ' A' ' 51' ' ' ILE . 95.9 m-85 -103.39 156.59 35.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.18 20.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -106.61 133.41 51.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.742 ' N ' HD13 ' A' ' 23' ' ' LEU . 6.1 m-85 -117.69 156.19 28.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.859 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -85.03 117.54 24.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.517 ' O ' HG23 ' A' ' 66' ' ' ILE . . . 133.65 -154.58 21.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -76.45 129.2 36.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 64' ' ' LEU . 80.6 m-20 -134.78 156.66 48.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.039 HD23 ' N ' ' A' ' 30' ' ' ILE . 6.6 tt -129.89 152.12 49.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.039 ' N ' HD23 ' A' ' 29' ' ' LEU . 9.6 mt -124.19 104.45 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' ' 52' ' ' PRO . 1.2 t -72.96 150.05 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -131.86 116.81 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 86.52 -162.29 34.54 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' GLU . 77.8 mtt85 -84.86 2.44 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.877 HG21 HD11 ' A' ' 61' ' ' ILE . 99.5 m -44.89 -32.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 31' ' ' VAL . 3.8 tt -65.68 -42.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -57.8 -14.57 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.2 p -133.63 19.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.407 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 65.7 tp -86.61 166.91 15.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 41.7 mt-10 -126.18 164.31 21.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -134.69 163.59 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.05 -159.77 8.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.419 1.074 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -94.97 -49.5 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -107.54 9.93 29.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -118.24 43.89 2.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.367 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.545 ' CE2' ' O ' ' A' ' 47' ' ' PRO . 4.8 t80 -137.54 131.19 17.19 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' O ' ' CE2' ' A' ' 46' ' ' PHE . 18.2 Cg_endo -75.03 160.18 40.39 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -21.43 66.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.558 ' CG ' ' CG ' ' A' ' 24' ' ' TYR . 6.0 m120 -168.78 125.45 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.711 HD11 HD22 ' A' ' 29' ' ' LEU . 2.9 tt -110.21 145.25 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.915 HD11 ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -133.94 111.4 12.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.629 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 146.08 32.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.595 1.839 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.706 HG13 HG11 ' A' ' 11' ' ' VAL . 23.8 t -117.92 68.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.3 p -77.12 4.09 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 110.407 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -87.41 15.43 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.616 ' HA ' HD11 ' A' ' 96' ' ' ILE . 94.6 p -116.55 157.16 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.941 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 6.66 48.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.63 157.3 40.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -102.13 158.9 15.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.76 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 157.23 -167.14 33.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.877 HD11 HG21 ' A' ' 35' ' ' THR . 1.8 mp -150.94 162.81 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 3.4 mt -150.03 162.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 12.7 m-85 -118.33 146.61 44.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 28' ' ' ASN . 2.9 tp -146.51 107.27 4.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.55 117.89 35.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -117.95 138.31 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 m -105.14 151.78 23.61 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.7 mtpt -61.62 -17.3 54.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 43.6 m-20 -80.8 2.64 25.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.473 ' OD1' ' CE1' ' A' ' 7' ' ' PHE . 4.5 t-20 77.58 40.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.4 mp -108.69 107.12 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.76 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 108.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -144.14 110.0 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.872 ' CG ' HG21 ' A' ' 84' ' ' ILE . 33.2 m-85 -92.75 155.48 17.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -158.68 166.03 32.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.026 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 160.13 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -9.29 24.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -83.53 9.57 11.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.15 31.01 64.4 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.1 mt-10 -117.48 158.98 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -93.98 137.6 33.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 75' ' ' SER . 31.4 mt -104.66 130.92 54.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -86.33 120.5 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.872 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -120.0 136.04 58.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.582 1.177 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.534 ' O ' HD12 ' A' ' 84' ' ' ILE . 13.4 m120 -64.6 121.83 15.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -14.57 60.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.058 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -89.09 -17.37 29.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.16 -22.21 9.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.578 1.174 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 43.14 47.34 5.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.8 p -155.96 164.15 38.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.0 p90 -154.59 175.2 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -135.52 147.41 48.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.04 144.38 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 56.28 23.38 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.37 -29.01 6.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 56' ' ' SER . 1.4 mp -65.62 163.1 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.5 OUTLIER -127.66 113.71 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.028 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 53.7 m-85 -96.1 155.22 16.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.603 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.71 124.21 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.508 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.94 HD11 HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.368 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 146.49 30.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 10.6 p-10 -129.92 117.98 20.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.38 -74.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.13 177.39 1.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -171.18 99.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.29 -59.39 2.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.402 1.064 . . . . 0.0 109.279 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -159.15 147.67 18.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -91.26 33.32 0.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -116.25 121.58 42.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.944 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -73.64 164.91 57.61 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.55 1.156 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' O ' ' CD1' ' A' ' 7' ' ' PHE . 18.3 Cg_endo -74.98 48.99 2.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 24.0 m-85 -147.98 157.43 43.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -138.56 157.12 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 21' ' ' PHE . 0.7 OUTLIER -104.17 148.09 26.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -141.4 121.06 13.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 ' CG1' HG21 ' A' ' 96' ' ' ILE . 18.5 t -118.99 108.83 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.9 OUTLIER -107.51 138.84 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.74 HD12 HG23 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -97.07 156.84 16.2 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 95' ' ' GLY . 2.2 p -73.25 -20.24 60.88 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -70.0 -3.44 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.02 24.92 15.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -103.02 157.86 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -145.22 143.38 11.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.075 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -143.52 156.36 44.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -138.33 135.52 35.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.257 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.699 ' CG ' HD11 ' A' ' 51' ' ' ILE . 92.2 m-85 -129.16 154.97 80.57 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.2 Cg_endo -74.99 143.12 28.72 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.063 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -116.55 128.91 55.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.063 ' N ' HD12 ' A' ' 23' ' ' LEU . 6.5 m-85 -113.6 143.59 44.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.944 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -66.63 125.4 25.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.11 -155.49 21.04 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.14 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.896 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.19 110.09 11.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.497 ' C ' HD23 ' A' ' 29' ' ' LEU . 51.1 m-80 -118.17 115.52 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.381 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.5 mt -98.97 144.16 28.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.653 HG23 HG23 ' A' ' 51' ' ' ILE . 3.1 mm -109.53 108.39 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.634 HG21 ' HB ' ' A' ' 36' ' ' ILE . 1.1 t -72.07 146.21 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -131.91 125.4 31.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.346 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.83 -156.08 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.1 mmt85 -83.95 1.07 45.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.454 HG21 HD12 ' A' ' 61' ' ' ILE . 1.2 m -47.47 -25.1 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.634 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.0 tt -71.4 -38.56 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -66.91 -8.27 28.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 38' ' ' THR . 23.6 m -135.04 18.24 3.46 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.511 HD12 ' H ' ' A' ' 40' ' ' GLU . 57.7 tp -78.86 165.5 23.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.147 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.511 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.2 mm-40 -128.51 169.44 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -137.14 167.7 21.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.01 -170.87 12.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -94.99 -52.95 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -104.65 9.38 35.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.49 38.22 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -92.62 127.09 49.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.623 ' CG ' HD11 ' A' ' 50' ' ' ILE . 18.4 Cg_endo -74.97 162.79 36.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.6 -22.04 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 174.97 135.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.623 HD11 ' CG ' ' A' ' 47' ' ' PRO . 41.7 mt -116.12 122.21 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.699 HD11 ' CG ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -107.55 121.4 44.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.619 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.0 148.87 35.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 79.8 t -134.77 59.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 p -76.76 4.61 9.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.646 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -71.2 -3.89 22.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -104.51 165.65 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.81 5.56 50.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.2 m -120.48 148.81 43.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.584 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -102.65 156.31 17.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 156.41 -160.81 30.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -151.82 158.41 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 109.274 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 1.4 mt -139.23 160.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 77' ' ' GLU . 15.7 m-30 -115.02 138.41 50.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.816 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.59 96.2 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.896 HG23 ' HA ' ' A' ' 27' ' ' ASN . 4.8 m -109.9 126.95 54.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.77 HG22 ' HA ' ' A' ' 72' ' ' CYS . 23.4 pt -127.13 142.32 43.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.613 1.196 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.494 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 28.5 t -97.23 163.49 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.028 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -13.21 61.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -82.29 7.47 13.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.525 ' C ' HD12 ' A' ' 71' ' ' ILE . 3.6 m120 74.11 41.27 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.53 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.6 mp -115.18 103.84 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.77 ' HA ' HG22 ' A' ' 66' ' ' ILE . 23.3 p -93.13 142.52 27.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 108.301 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -144.59 110.43 5.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.834 ' CG ' HG21 ' A' ' 84' ' ' ILE . 24.1 m-85 -91.51 156.33 17.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.57 ' HG ' ' HA ' ' A' ' 81' ' ' GLN . 3.8 m -168.5 161.44 11.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.064 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -102.39 155.96 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -56.39 -16.43 5.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -7.67 35.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.17 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.42 24.04 41.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 8.5 tt0 -117.45 135.73 53.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 0.779 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.57 ' HA ' ' HG ' ' A' ' 75' ' ' SER . 1.2 pm0 -79.08 141.73 37.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.408 HD11 ' OD2' ' A' ' 76' ' ' ASP . 7.7 mt -111.44 144.34 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -95.84 120.42 36.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.834 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -109.65 134.83 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.663 ' O ' HD12 ' A' ' 84' ' ' ILE . 15.0 t-20 -55.67 131.58 46.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.69 -33.4 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -14.94 59.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.262 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.425 ' CB ' ' HB3' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -115.33 -24.56 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 9.5 m120 40.45 50.36 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.7 p -159.77 169.36 23.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.593 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 3.8 p90 -158.72 175.8 13.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -140.5 141.82 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -162.33 145.67 11.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 60.75 20.54 10.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.361 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 14' ' ' THR . . . 91.8 -22.13 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.74 HG23 HD12 ' A' ' 13' ' ' LEU . 18.5 mm -71.03 161.87 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -125.54 92.97 3.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 64.9 m-85 -80.89 154.0 27.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -159.4 125.5 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.678 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.574 HD12 HD22 ' A' ' 23' ' ' LEU . 2.2 mm? -100.49 105.62 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -80.43 144.44 32.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -133.4 163.07 30.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 ttp -141.22 162.37 35.65 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.16 145.2 48.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.83 174.45 10.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -102.24 -55.05 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 m120 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.09 -169.24 3.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -93.4 61.86 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -115.27 116.78 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.715 ' HB3' HD12 ' A' ' 23' ' ' LEU . . . -55.22 144.21 51.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 44.19 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.005 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.9 m-85 -134.99 161.43 35.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' PRO . 5.2 tpt180 -137.17 145.01 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.073 HD23 HD11 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -92.02 146.35 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -129.25 141.19 51.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.804 HG13 ' CG2' ' A' ' 96' ' ' ILE . 66.9 t -140.23 116.58 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HG2' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -112.96 144.22 42.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.2 mp -103.8 155.07 18.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.04 -26.24 59.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' HB3' HG23 ' A' ' 17' ' ' VAL . 10.8 t30 -68.34 -8.95 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.53 19.87 28.61 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.575 1.172 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 15' ' ' ASN . 2.0 t -86.34 169.09 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.58 0.812 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -159.17 141.23 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' O ' HD22 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -138.7 166.63 23.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 0.739 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 1.5 pm0 -143.05 145.62 33.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.554 ' CD2' HG12 ' A' ' 51' ' ' ILE . 10.2 m-85 -143.54 154.21 59.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -74.95 158.05 42.62 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 7' ' ' PHE . 3.2 pp -144.28 128.44 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.691 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 8.5 m-85 -96.26 143.5 27.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD2' ' HG3' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.45 117.21 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.66 -154.41 25.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.571 1.17 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.756 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.53 109.49 16.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -103.58 156.97 17.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' A' ' 63' ' ' TYR . 8.1 tt -134.36 153.89 51.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 51' ' ' ILE . 9.5 mt -126.36 146.56 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -110.45 146.8 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -132.14 124.53 29.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 91.73 -154.83 22.84 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 37' ' ' GLU . 4.9 ptt85 -83.81 -4.84 58.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.866 HG21 HD11 ' A' ' 61' ' ' ILE . 2.3 m -45.31 -33.58 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.632 HG21 HG22 ' A' ' 54' ' ' THR . 5.9 tp -60.63 -42.39 91.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -76.06 -3.27 34.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 38' ' ' THR . 85.4 m -128.16 17.35 6.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 53.8 tp -89.55 164.05 14.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 17.5 mp0 -123.91 167.96 13.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.085 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -137.04 163.7 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 125.08 -103.61 0.73 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -86.82 -5.94 58.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.27 9.79 42.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -87.51 45.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.545 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -48.4 -47.87 67.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.549 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.01 159.15 41.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -95.21 -19.76 19.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 23' ' ' LEU . 15.7 t30 -145.28 115.77 7.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.549 HD11 ' HG2' ' A' ' 47' ' ' PRO . 5.1 mt -108.88 120.84 61.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.075 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.689 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -118.22 109.93 40.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.561 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.99 159.94 40.8 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.656 ' HB ' HD22 ' A' ' 32' ' ' LEU . 91.4 t -133.89 70.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.632 HG22 HG21 ' A' ' 36' ' ' ILE . 10.8 p -77.54 4.54 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.888 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -85.08 11.38 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.598 ' OG ' HG12 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -116.75 152.83 33.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -91.46 -8.44 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.437 ' CB ' ' OD2' ' A' ' 94' ' ' ASP . 3.2 m -100.08 166.75 10.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -118.94 146.42 44.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.47 -167.65 36.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.4 1.062 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 35' ' ' THR . 1.2 mp -148.41 157.78 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 4.9 mt -137.84 164.26 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 29' ' ' LEU . 30.1 m-85 -122.97 144.22 49.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.835 HD12 ' C ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -149.68 103.14 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.756 HG23 ' HA ' ' A' ' 27' ' ' ASN . 48.5 m -108.26 133.34 52.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.665 HG22 ' HA ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -134.42 144.23 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 17.8 t -103.02 166.43 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG3' ' CD2' ' A' ' 25' ' ' TYR . 11.1 tttm -77.02 -13.3 59.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 3.3 m-20 -80.74 5.67 15.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 2.3 t-20 80.26 44.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 0.9 OUTLIER -114.54 147.01 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.665 ' HA ' HG22 ' A' ' 66' ' ' ILE . 20.8 p -136.05 149.47 48.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.322 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -158.16 116.47 3.05 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.964 ' CD1' HG21 ' A' ' 84' ' ' ILE . 62.7 m-85 -93.13 158.94 15.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -160.27 165.89 30.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.928 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -107.47 155.36 20.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -57.07 -16.21 6.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.23 -5.22 30.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.47 25.99 40.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.0 tt0 -117.12 160.9 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -95.41 135.53 36.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.401 ' CD1' ' C ' ' A' ' 75' ' ' SER . 8.0 mt -104.51 123.28 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -75.4 120.61 21.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.964 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -114.81 143.82 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.675 ' O ' HD12 ' A' ' 84' ' ' ILE . 7.6 m-80 -72.57 133.13 44.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -20.44 40.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -85.92 -17.33 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' ASN . 1.3 m-85 -115.36 -23.04 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 84' ' ' ILE . 79.2 m-20 40.07 43.05 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.601 1.188 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 p -154.73 163.81 39.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.003 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.615 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 2.6 p90 -156.61 174.25 15.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -124.23 143.78 50.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.594 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 54.0 t80 -168.55 137.93 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.594 ' OD1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-20 58.21 22.46 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.7 -29.41 7.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.804 ' CG2' HG13 ' A' ' 11' ' ' VAL . 6.0 mm -69.1 160.12 5.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' HG2' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -126.85 93.71 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.615 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 90.9 m-85 -71.32 158.09 36.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 101' ' ' LYS . 21.6 t60 -160.58 111.32 1.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.568 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.073 HD11 HD23 ' A' ' 9' ' ' LEU . 2.5 mm? -94.98 116.27 28.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . 9.3 tttm -112.59 146.53 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.613 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 11.8 p30 -117.24 153.58 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 ptp -156.44 122.89 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 76.32 136.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -70.08 -179.71 2.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 110.325 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.16 108.22 3.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.57 1.169 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.11 134.48 16.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.935 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -170.36 -149.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.796 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -41.67 116.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.742 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -76.99 169.18 22.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 Cg_endo -74.99 52.22 2.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CE2' HD13 ' A' ' 66' ' ' ILE . 19.3 m-85 -107.23 173.11 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.439 ' C ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -169.79 114.89 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.032 HD21 ' HB2' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.31 131.1 37.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 9' ' ' LEU . 26.6 mt -123.49 129.08 50.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.194 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.678 HG11 HG13 ' A' ' 53' ' ' VAL . 41.8 t -124.07 121.14 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 1.5 ptmt -109.64 145.45 36.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -103.57 158.22 16.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.95 -26.51 62.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.351 1.032 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -8.98 47.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.63 22.3 24.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG12 ' H ' ' A' ' 18' ' ' GLY . 2.8 t -86.75 170.5 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.585 0.814 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.491 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -157.59 121.55 1.08 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HB3' ' CE2' ' A' ' 21' ' ' PHE . 0.2 OUTLIER -110.78 165.86 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.38 146.15 49.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.663 ' CD1' HD11 ' A' ' 51' ' ' ILE . 68.5 m-85 -146.88 152.08 43.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -169.75 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.032 ' HB2' HD21 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -170.74 126.52 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.018 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.6 m-85 -107.01 142.38 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.742 ' CD1' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -59.47 117.01 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.83 -153.67 22.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.684 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.4 m120 -79.31 141.55 36.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -143.66 158.69 43.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CD1' ' A' ' 63' ' ' TYR . 17.8 mt -142.1 146.56 35.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 51' ' ' ILE . 12.5 mt -114.17 145.53 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 t -104.71 147.72 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.758 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -133.0 123.36 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.604 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 72.57 -155.23 51.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.559 1.162 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.7 mtt85 -83.24 1.86 38.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 110.307 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.689 HG21 HG12 ' A' ' 61' ' ' ILE . 87.8 m -47.86 -22.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.489 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.613 ' HB ' HG21 ' A' ' 31' ' ' VAL . 1.5 tt -77.24 -39.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -55.29 -17.73 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.35 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.5 p -128.33 19.13 6.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD21 ' CE1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -51.45 176.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -121.66 174.93 6.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.734 ' CE1' HD21 ' A' ' 39' ' ' LEU . 13.7 m-85 -137.26 170.08 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.42 165.04 28.08 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -76.3 -24.21 54.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -109.56 9.31 25.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.92 43.3 2.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.93 99.48 52.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 29' ' ' LEU . 18.2 Cg_endo -74.99 155.44 42.96 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.579 1.831 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 2.4 tp10 -69.39 -21.37 63.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -172.44 135.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.572 HD12 ' CG ' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -117.59 146.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.727 HG23 HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -142.28 110.32 5.89 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.593 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -74.98 149.3 36.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.445 1.761 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.758 ' HB ' HD22 ' A' ' 32' ' ' LEU . 57.7 t -134.79 49.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.16 3.99 7.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.918 ' HB2' HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -67.73 -6.78 22.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.4 t -92.8 176.04 6.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -97.68 -3.11 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.38 169.41 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.072 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.604 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 4.2 m-20 -115.54 176.88 4.88 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 143.41 -177.15 22.43 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.442 1.089 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.689 HG12 HG21 ' A' ' 35' ' ' THR . 16.1 mm -143.0 128.76 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CG2' HD12 ' A' ' 30' ' ' ILE . 8.4 mt -112.38 165.21 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.827 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.9 m-85 -128.71 142.44 51.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.798 HD12 ' N ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -147.62 119.21 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.798 ' N ' HD12 ' A' ' 64' ' ' LEU . 81.9 m -123.84 135.66 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.995 HD11 HD11 ' A' ' 23' ' ' LEU . 1.1 pt -134.24 108.94 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t -69.33 163.88 24.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.612 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 4.0 tttm -65.83 -21.42 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.3 OUTLIER -76.76 -0.02 22.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.553 ' O ' HD12 ' A' ' 71' ' ' ILE . 8.4 t30 77.43 45.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.4 mp -114.9 103.52 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.506 ' HA ' HG22 ' A' ' 66' ' ' ILE . 14.1 p -86.57 155.37 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.81 108.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.679 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 6.7 m-85 -92.78 164.21 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.25 135.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.71 ' OD2' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -84.34 154.51 22.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.409 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 1.4 pt-20 -55.27 -17.7 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -69.2 -6.93 32.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.77 27.65 37.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.565 1.166 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 1.8 tt0 -117.04 118.01 31.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.36 115.71 13.05 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.71 HD11 ' OD2' ' A' ' 76' ' ' ASP . 3.5 mt -75.65 131.56 34.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -77.26 121.68 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -145.24 151.3 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' N ' HG13 ' A' ' 84' ' ' ILE . 1.5 t-20 -149.73 -178.39 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.5 m -77.92 -8.28 57.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.2 -51.31 66.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.95 -25.84 6.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-20 34.98 50.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.6 p -165.39 174.31 10.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.42 1.075 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.749 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 22.5 p90 -171.8 174.53 4.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 7.2 tt0 -130.79 143.95 51.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.346 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 2.2 t80 -164.01 135.79 4.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 59.17 21.09 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.21 -33.17 5.42 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.419 1.074 . . . . 0.0 111.126 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.9 mp -67.96 157.8 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -125.79 133.9 51.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.013 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.749 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 7.9 m-85 -111.56 155.31 23.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CD2' HD12 ' A' ' 10' ' ' LEU . 5.5 t60 -152.88 114.53 4.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.897 HD13 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -98.45 104.08 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' HG3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -88.25 138.84 31.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -133.66 164.06 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 6' ' ' PRO . 9.5 ttm -114.11 -67.88 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 174.71 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -104.88 123.79 48.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER -159.78 -47.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.881 ' N ' HD21 ' A' ' 49' ' ' ASN . 2.7 t30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 3' ' ' ASN . 39.5 p -136.33 137.24 40.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.0 OUTLIER 81.25 148.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.008 HD21 ' HB2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -117.65 120.87 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.68 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.58 169.68 0.76 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.656 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.1 Cg_endo -75.0 20.32 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.536 1.809 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 102' ' ' ASN . 7.0 m-30 -114.99 164.09 14.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 0.0 111.039 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 71.6 mtm180 -148.96 145.89 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.035 HD23 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -99.23 144.75 28.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.373 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.741 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -134.23 136.1 43.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 ' CD2' ' A' ' 98' ' ' PHE . 56.2 t -130.77 110.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -110.41 143.89 40.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.892 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.1 mp -103.2 157.43 17.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 14' ' ' THR . 2.4 p -74.62 -20.0 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.429 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -5.97 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.97 25.3 9.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.553 1.158 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' HB ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -101.79 162.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -153.17 117.63 0.82 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.741 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 m-20 -118.62 168.4 10.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -147.43 141.56 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.615 ' HE2' HG21 ' A' ' 11' ' ' VAL . 38.6 m-85 -128.2 153.65 78.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.008 ' HB2' HD21 ' A' ' 4' ' ' LEU . 18.0 Cg_endo -75.08 144.51 30.09 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.924 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -117.6 131.7 56.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.852 ' O ' HD11 ' A' ' 66' ' ' ILE . 3.8 m-85 -116.99 163.2 16.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.553 ' CE1' ' HA ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -85.88 123.04 30.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.948 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.75 -155.34 22.6 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.925 ' HA ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -82.46 106.48 14.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.584 ' N ' ' O ' ' A' ' 64' ' ' LEU . 76.4 m-20 -100.29 157.74 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 62' ' ' ILE . 44.7 tp -139.06 152.97 47.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 64' ' ' LEU . 2.9 mp -132.58 124.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.551 HG22 ' CG2' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -106.5 119.0 55.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.653 HD13 ' C ' ' A' ' 32' ' ' LEU . 1.8 tm? -111.48 96.85 6.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 121.5 -158.65 16.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.33 -1.72 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.233 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.846 ' HB ' HD11 ' A' ' 61' ' ' ILE . 1.9 p -45.81 -40.92 10.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' CD1' ' HG3' ' A' ' 52' ' ' PRO . 4.0 tt -63.06 -43.62 99.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.12 -14.28 16.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.4 p -133.85 20.77 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.81 176.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -128.94 176.86 7.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.699 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 40.3 m-85 -136.82 170.8 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.0 -169.45 38.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -93.51 -45.02 7.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.1 9.29 38.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -114.82 42.41 2.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -114.69 102.72 54.97 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.708 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.97 163.51 35.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 -41.55 45.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.881 HD21 ' N ' ' A' ' 1' ' ' ASN . 21.5 m-80 -160.05 124.72 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.708 HD11 ' HG2' ' A' ' 47' ' ' PRO . 3.9 mt -101.25 141.4 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.604 HD13 ' C ' ' A' ' 51' ' ' ILE . 0.1 OUTLIER -126.97 107.48 22.08 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.547 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.01 165.89 30.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.597 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.5 t -135.33 77.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.9 p -77.0 3.4 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.892 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.4 p-10 -90.19 16.05 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.574 ' CB ' HD21 ' A' ' 32' ' ' LEU . 24.8 t -125.59 150.64 47.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.61 -9.13 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.16 176.92 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -122.19 164.74 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 143.96 176.77 18.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.846 HD11 ' HB ' ' A' ' 35' ' ' THR . 27.8 mt -146.57 157.73 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.738 ' O ' HD12 ' A' ' 29' ' ' LEU . 82.3 mt -145.38 139.69 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.22 145.41 28.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 30' ' ' ILE . 4.4 tp -149.61 120.82 7.8 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.482 1.114 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.925 HG23 ' HA ' ' A' ' 27' ' ' ASN . 3.7 m -123.4 122.89 39.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.924 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.7 pt -117.11 126.44 74.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.82 147.23 23.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.16 -16.99 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.506 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -76.08 -0.33 21.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.236 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.647 ' C ' HD12 ' A' ' 71' ' ' ILE . 2.8 t-20 80.4 39.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.5 mp -115.86 103.83 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.7 m -97.12 137.39 36.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.77 129.54 23.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.85 ' CE1' HD13 ' A' ' 84' ' ' ILE . 24.5 m-85 -104.46 163.71 12.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -164.65 154.5 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.998 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -13.48 10.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -73.53 -1.73 19.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.88 26.64 52.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -117.78 162.37 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 0.718 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -94.55 131.73 39.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.616 1.197 . . . . 0.0 110.246 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.574 HD12 ' C ' ' A' ' 75' ' ' SER . 13.5 mt -89.05 137.1 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -78.58 120.62 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.85 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -151.08 148.17 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' N ' HG13 ' A' ' 84' ' ' ILE . 36.9 m-80 -131.22 152.82 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -65.04 -11.23 36.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.951 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.46 -51.8 68.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.32 -26.58 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 111.009 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' PHE . 2.5 p30 36.86 57.88 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -165.25 171.32 13.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.049 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 21.7 p90 -179.32 169.78 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.2 tt0 -107.15 152.22 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -168.16 139.49 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 56.61 20.79 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.27 -31.53 5.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.718 HG22 ' CE1' ' A' ' 98' ' ' PHE . 1.2 mp -66.28 165.44 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.411 0.712 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.523 ' N ' ' CG2' ' A' ' 96' ' ' ILE . 0.6 OUTLIER -128.28 104.1 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 96' ' ' ILE . 58.7 m-85 -95.57 154.85 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.02 117.32 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.614 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.035 HD21 HD23 ' A' ' 9' ' ' LEU . 8.8 mp -103.39 103.95 13.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.12 143.03 34.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 7' ' ' PHE . 11.5 p-10 -135.17 147.43 49.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.417 ' HG2' ' N ' ' A' ' 104' ' ' ARG . 3.5 ttt -111.85 -95.2 0.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 106' ' ' ASP . 2.1 tmt_? 177.49 -66.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 104' ' ' ARG . 23.2 tt0 -36.78 97.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 104' ' ' ARG . 4.6 p-10 -96.24 122.42 39.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.0 tptp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.02 -166.4 1.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -101.71 95.32 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -114.95 117.58 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.813 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -61.77 166.13 6.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.3 Cg_endo -74.92 49.48 2.24 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.737 ' HB3' HD23 ' A' ' 23' ' ' LEU . 34.2 m-85 -147.97 164.47 33.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.453 1.095 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 100' ' ' LEU . 1.0 OUTLIER -147.78 146.13 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD13 HG21 ' A' ' 51' ' ' ILE . 7.1 tt -95.53 154.91 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.955 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -143.45 146.33 33.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -139.21 125.84 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -113.41 141.51 46.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.3 mp -104.57 155.78 18.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -24.72 63.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 110.412 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -68.15 -8.72 40.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.08 22.28 25.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.605 1.191 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 18' ' ' GLY . 7.8 t -91.61 167.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' N ' HG12 ' A' ' 17' ' ' VAL . . . -158.12 112.56 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.955 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -107.47 159.58 16.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.55 127.44 37.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.908 ' CD2' HD11 ' A' ' 51' ' ' ILE . 89.4 m-85 -113.4 158.91 37.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.605 1.191 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 142.59 28.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -120.74 126.8 51.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.059 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.3 m-85 -111.93 152.35 28.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.813 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -77.16 123.46 26.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.52 -154.57 21.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.918 ' HA ' HG23 ' A' ' 65' ' ' THR . 1.1 m-20 -83.52 107.82 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 0.1 OUTLIER -105.76 156.92 17.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD13 ' HG3' ' A' ' 47' ' ' PRO . 9.6 tt -136.36 151.14 49.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.526 HD12 HG22 ' A' ' 62' ' ' ILE . 4.0 mt -120.52 146.1 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.363 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.665 HG21 ' HB ' ' A' ' 36' ' ' ILE . 1.2 t -113.64 146.08 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.75 HD22 ' HB ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.82 125.02 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.618 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 77.57 -157.97 46.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -83.53 1.65 40.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.375 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 m -45.41 -25.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.665 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.9 tt -79.98 -41.14 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ARG . 34.4 mt-10 -60.98 -29.47 69.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 38' ' ' THR . 21.9 m -98.48 2.06 47.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 36' ' ' ILE . 4.0 mt -99.2 175.77 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.32 175.78 6.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -136.55 169.66 17.33 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.72 -107.39 3.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -61.15 -15.62 35.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -103.68 10.08 36.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -85.87 46.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.536 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.2 OUTLIER -44.87 -49.04 29.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 50' ' ' ILE . 18.4 Cg_endo -74.94 151.83 40.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -19.22 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -143.05 118.88 10.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -112.41 123.18 67.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.908 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -121.73 110.04 33.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.556 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.6 Cg_endo -75.01 159.4 41.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HB ' HD22 ' A' ' 32' ' ' LEU . 10.9 t -135.04 62.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -75.21 3.36 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.86 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.0 p30 -87.04 12.32 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.65 ' CB ' HD11 ' A' ' 32' ' ' LEU . 1.2 m -101.21 167.51 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.77 -2.61 40.73 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.07 -179.28 5.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.618 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -116.64 168.67 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 153.07 -177.97 30.41 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.639 ' CD1' HG22 ' A' ' 31' ' ' VAL . 15.1 mm -140.77 137.69 35.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.526 HG22 HD12 ' A' ' 30' ' ' ILE . 22.3 mt -123.66 165.05 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 30.2 m-85 -129.48 144.23 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.053 HD22 ' CZ ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -149.29 113.07 5.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 27' ' ' ASN . 40.3 m -119.46 131.2 55.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 110.361 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.832 ' CD1' HD11 ' A' ' 23' ' ' LEU . 21.5 pt -128.21 144.7 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 71' ' ' ILE . 0.7 OUTLIER -102.47 150.65 23.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 1.4 mtmp? -65.21 -10.64 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 33.4 m-20 -82.75 8.37 12.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 15.1 t-20 80.06 44.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.494 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 1.2 mp -115.34 142.94 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.621 ' HA ' HG22 ' A' ' 66' ' ' ILE . 4.3 p -134.98 137.85 43.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.43 138.41 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.053 ' CZ ' HD22 ' A' ' 64' ' ' LEU . 11.2 m-85 -121.15 164.36 17.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 81' ' ' GLN . 4.9 t -168.14 151.08 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.5 ' OD2' ' CG1' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -94.31 154.68 17.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.72 -16.69 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -67.45 -7.53 26.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.36 22.28 54.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.29 128.97 55.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 1.0 OUTLIER -70.89 136.12 48.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 84' ' ' ILE . 8.3 mt -92.33 133.3 34.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -70.9 120.75 16.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.689 HD11 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -149.1 152.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.266 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.416 ' N ' HG13 ' A' ' 84' ' ' ILE . 8.4 m-20 -149.36 -178.76 6.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -80.5 -5.76 57.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.947 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -66.93 -51.71 52.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -119.34 -26.32 5.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.689 ' OD1' HD11 ' A' ' 84' ' ' ILE . 14.5 t-20 33.95 53.79 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.9 p -161.21 173.37 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 10.9 p90 -168.76 169.25 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -121.72 137.54 54.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 96' ' ' ILE . 2.2 t80 -168.09 129.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.431 ' OD2' ' N ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 71.74 19.13 5.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 -26.47 8.75 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' ' CZ ' ' A' ' 98' ' ' PHE . 30.2 pt -78.05 162.58 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -126.33 120.89 31.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 40.8 m-85 -95.96 154.04 17.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.557 1.161 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.569 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.99 132.1 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -108.99 111.14 22.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -126.24 146.7 49.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -47.41 161.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.8 ttt -78.53 152.57 31.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.1 -67.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -92.87 146.92 23.27 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.66 -52.94 2.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -147.27 70.83 1.19 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.884 ' ND2' HD23 ' A' ' 4' ' ' LEU . 7.4 t30 178.11 -165.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.884 HD23 ' ND2' ' A' ' 3' ' ' ASN . 1.4 pp -40.47 124.67 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.138 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -56.68 173.05 0.32 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.93 50.75 2.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.573 ' CE2' ' CG ' ' A' ' 102' ' ' ASN . 6.6 m-85 -117.1 174.76 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 7' ' ' PHE . 2.3 mpp_? -170.03 141.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.723 HD12 HD21 ' A' ' 100' ' ' LEU . 6.7 tt -92.13 156.44 17.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.879 HD23 ' O ' ' A' ' 19' ' ' ASP . 0.3 OUTLIER -138.58 143.7 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.488 ' CG2' HD21 ' A' ' 9' ' ' LEU . 7.0 t -139.45 115.63 9.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG3' ' CB ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -108.99 141.36 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 55' ' ' ASP . 1.4 mp -104.09 153.59 20.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.04 64.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.0 -14.01 62.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.71 22.44 9.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.5 t -91.52 166.47 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -160.27 124.83 1.38 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.11 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.879 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -119.11 166.38 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.754 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -145.76 150.24 35.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.787 ' CD2' HD11 ' A' ' 51' ' ' ILE . 22.1 m-85 -146.64 158.71 45.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.062 . . . . 0.0 110.992 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HA ' ' HG3' ' A' ' 8' ' ' ARG . 18.1 Cg_endo -75.1 135.71 19.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.539 1.81 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.984 HD12 ' N ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -107.86 124.04 49.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.984 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.8 m-85 -100.59 142.6 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 1.138 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -75.14 113.64 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.8 -154.8 23.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.84 105.35 3.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 64' ' ' LEU . 62.8 m-20 -104.29 156.43 17.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 50' ' ' ILE . 11.6 tp -136.81 153.61 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 51' ' ' ILE . 2.5 mp -131.87 150.92 34.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG11 ' HA ' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -119.49 153.2 22.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD21 ' OD2' ' A' ' 94' ' ' ASP . 21.4 tp -132.73 140.61 48.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.58 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 69.23 -151.09 50.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -83.93 -3.97 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.625 ' CG2' HD11 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -50.35 -21.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 ' HA ' HG11 ' A' ' 31' ' ' VAL . 2.4 tp -65.75 -28.16 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.15 -3.06 58.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 38' ' ' THR . 0.6 OUTLIER -136.85 19.83 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.595 1.184 . . . . 0.0 110.413 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD12 ' H ' ' A' ' 40' ' ' GLU . 42.6 tp -75.66 164.17 26.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.533 ' H ' HD12 ' A' ' 39' ' ' LEU . 10.2 mt-10 -129.46 169.47 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -137.26 164.95 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.11 169.09 12.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.44 -53.73 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -101.33 9.06 42.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -122.36 35.14 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -82.39 121.33 78.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.608 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -75.08 163.14 35.74 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.94 -20.95 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.494 ' HB2' ' CG ' ' A' ' 24' ' ' TYR . 3.5 t30 175.11 138.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 29' ' ' LEU . 2.5 mt -112.41 133.32 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.787 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -119.27 110.53 37.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.258 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.592 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.2 Cg_endo -75.0 157.97 42.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.415 1.745 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.451 HG13 HG11 ' A' ' 11' ' ' VAL . 61.1 t -132.72 70.0 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.616 ' CG2' HG21 ' A' ' 36' ' ' ILE . 70.7 p -78.06 4.17 13.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.713 ' HB2' HD21 ' A' ' 13' ' ' LEU . 2.2 p30 -88.43 16.71 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.46 ' HA ' HD13 ' A' ' 96' ' ' ILE . 0.3 OUTLIER -107.0 164.96 11.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.66 -10.61 28.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.7 m -118.31 -174.92 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.58 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -129.91 157.95 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.531 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 159.85 -161.27 32.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 ' CG2' ' A' ' 35' ' ' THR . 1.7 mp -150.03 156.35 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 mt -141.48 153.54 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 29' ' ' LEU . 7.6 m-85 -115.71 146.14 42.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD11 ' CG2' ' A' ' 66' ' ' ILE . 3.9 tp -147.25 117.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.538 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -117.61 112.34 20.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.165 . . . . 0.0 110.402 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.792 HD13 HD11 ' A' ' 23' ' ' LEU . 5.2 pt -116.8 134.8 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -103.1 149.4 24.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 18.9 mttt -62.8 -12.32 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 0.6 OUTLIER -81.09 3.28 23.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 81.07 33.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 17.9 mm -105.92 103.05 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.4 p -92.52 133.85 35.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.296 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.534 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -140.77 140.71 34.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 1.044 ' CE1' HD13 ' A' ' 84' ' ' ILE . 6.8 m-85 -121.31 163.92 17.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 111.107 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -165.75 164.33 18.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.976 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.8 154.37 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -63.83 -11.63 28.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -74.81 -1.5 22.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.97 27.36 37.91 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -117.47 161.32 19.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.744 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -92.24 160.73 15.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 75' ' ' SER . 52.3 mt -136.48 130.84 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.53 122.36 42.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.044 HD13 ' CE1' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -114.97 154.24 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.35 119.5 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -6.35 33.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.17 -19.01 20.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -116.08 -25.02 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' PHE . 9.3 m120 38.39 49.89 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -156.66 161.49 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CE2' ' CG ' ' A' ' 98' ' ' PHE . 17.2 p90 -151.34 176.27 11.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 93' ' ' TYR . 14.8 tt0 -139.3 145.55 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.423 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 5.3 t80 -168.26 147.35 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.951 ' OD2' HD21 ' A' ' 32' ' ' LEU . 25.1 m-20 58.71 21.48 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.25 -27.52 6.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' SER . 1.1 mp -72.09 162.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.482 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -120.55 141.11 50.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.737 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 15.1 m-85 -122.16 152.15 40.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -159.09 125.28 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 9' ' ' LEU . 10.8 mt -102.09 104.82 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.213 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 146.16 29.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' CG ' ' CE2' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -125.62 163.81 21.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.3 ttt -38.65 -67.53 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -165.77 -44.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 67.53 104.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -101.48 109.21 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 tttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -51.41 171.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -119.65 61.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -113.95 117.1 30.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.829 ' HB2' ' CG ' ' A' ' 25' ' ' TYR . . . -63.9 165.72 12.06 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD2' ' HB1' ' A' ' 5' ' ' ALA . 18.4 Cg_endo -74.96 49.87 2.36 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.477 1.778 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.674 ' HB3' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -132.1 175.65 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' OE2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -170.78 135.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -91.89 149.04 21.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.64 HD12 ' C ' ' A' ' 9' ' ' LEU . 6.5 mp -139.59 116.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.739 HG11 HG13 ' A' ' 53' ' ' VAL . 2.6 t -109.86 108.89 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -117.09 135.58 53.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -94.13 170.88 9.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -79.92 -19.57 47.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.26 -6.23 33.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.02 24.85 7.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 2.2 t -97.22 152.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.636 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -162.48 103.04 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.385 1.053 . . . . 0.0 111.057 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.81 168.32 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' OE2' ' CZ ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -141.52 135.67 30.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 51' ' ' ILE . 18.9 m-85 -126.06 160.16 58.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 9' ' ' LEU . 18.4 Cg_endo -75.01 157.92 42.45 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.051 HD11 HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -137.91 126.04 22.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.037 ' N ' HD12 ' A' ' 23' ' ' LEU . 4.2 m-85 -105.82 142.73 35.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 111.076 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.829 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.73 117.5 7.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.05 -154.6 22.88 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.559 1.162 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.623 ' HA ' HG23 ' A' ' 65' ' ' THR . 24.2 m-80 -74.53 125.84 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.776 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -128.62 157.69 40.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 28' ' ' ASN . 6.8 mp -137.54 150.9 47.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 51' ' ' ILE . 36.4 mt -124.29 107.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.794 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -73.44 149.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' CD1' ' OG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -132.04 126.9 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 68.68 -155.5 53.41 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' GLU . 11.7 ptt180 -83.55 2.24 38.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.735 HG21 HG12 ' A' ' 61' ' ' ILE . 50.6 m -45.82 -29.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.717 ' HB ' HG21 ' A' ' 31' ' ' VAL . 3.4 tt -68.9 -40.66 81.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ARG . 5.4 mt-10 -59.59 -14.79 14.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.9 t -133.95 19.64 3.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.42 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 40' ' ' GLU . 58.4 tp -84.03 165.24 18.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.387 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.531 ' H ' HD12 ' A' ' 39' ' ' LEU . 34.2 mt-10 -124.31 166.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -135.74 163.76 29.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.87 164.35 15.01 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.446 1.091 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -90.97 -20.96 21.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 109.275 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.68 9.41 17.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -121.3 25.31 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.31 112.05 3.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.719 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.2 Cg_endo -74.99 162.64 36.81 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.409 1.742 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.67 -27.13 27.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -179.1 134.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.25 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 47' ' ' PRO . 8.3 mt -115.57 145.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.603 1.19 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -137.94 111.13 8.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.613 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.1 Cg_endo -74.93 154.39 42.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.739 HG13 HG11 ' A' ' 11' ' ' VAL . 12.1 t -132.94 71.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.8 p -80.55 4.99 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.889 ' HB2' HD21 ' A' ' 13' ' ' LEU . 1.5 p30 -84.77 10.63 10.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' CD1' ' A' ' 32' ' ' LEU . 57.5 p -107.16 139.29 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -9.25 51.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 m -117.25 -177.63 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.599 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.7 OUTLIER -131.68 158.4 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . 162.19 -165.75 36.11 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.794 ' CD1' HG22 ' A' ' 31' ' ' VAL . 21.9 mm -141.38 157.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 63' ' ' TYR . 2.7 mt -141.72 164.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.502 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 21.6 m-85 -126.31 140.45 52.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -150.5 112.44 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.623 HG23 ' HA ' ' A' ' 27' ' ' ASN . 54.9 m -121.22 134.65 55.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.051 HD11 HD11 ' A' ' 23' ' ' LEU . 33.4 pt -134.56 126.0 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 13.6 t -86.18 163.23 17.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -19.71 64.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 12.5 m-20 -76.0 -0.03 20.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.691 ' C ' HD12 ' A' ' 71' ' ' ILE . 28.9 t-20 79.26 42.67 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 70' ' ' ASN . 1.7 mp -115.43 103.75 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.627 1.204 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.688 ' HA ' HG22 ' A' ' 66' ' ' ILE . 31.7 p -92.46 155.2 18.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -158.75 113.86 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.835 ' CG ' HG21 ' A' ' 84' ' ' ILE . 9.1 m-85 -92.91 157.35 16.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.78 159.6 24.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.517 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.56 157.54 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -15.66 12.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.075 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -71.2 -5.46 32.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.89 25.83 39.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 2.4 tp10 -117.56 148.09 42.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -82.74 150.28 26.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 76' ' ' ASP . 29.0 mt -122.27 134.47 65.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -90.79 120.74 32.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.835 HG21 ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -112.51 143.01 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 89' ' ' ASN . 2.3 t-20 -65.76 120.7 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -75.47 -16.2 60.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -89.78 -16.46 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.72 -22.52 9.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ASN . 9.6 p30 40.8 47.11 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 p -160.62 164.64 31.69 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.442 1.089 . . . . 0.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 9.3 p90 -157.01 175.82 13.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.26 127.02 20.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.6 148.55 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 53.76 26.45 6.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.48 -18.85 31.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.574 1.172 . . . . 0.0 111.036 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.428 HG21 ' CG1' ' A' ' 11' ' ' VAL . 8.5 mm -69.97 155.76 7.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.487 0.757 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.09 90.56 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.084 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 52.6 m-85 -80.26 151.45 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -159.86 113.33 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 9' ' ' LEU . 5.2 mp -105.92 106.13 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.6 146.56 31.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 29.3 p-10 -127.84 161.4 29.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 131.89 22.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.77 97.08 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -165.33 135.71 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 61.33 149.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.21 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.63 -178.67 5.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.956 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 12.7 p-10 -105.62 61.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.937 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -115.61 115.15 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.857 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -58.36 146.18 72.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 45.12 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.041 ' CB ' HD21 ' A' ' 23' ' ' LEU . 8.1 m-85 -124.29 160.37 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -133.15 155.46 49.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.88 HD13 ' N ' ' A' ' 10' ' ' LEU . 1.6 tm? -114.73 155.01 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.88 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.3 mp -140.79 139.8 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 9' ' ' LEU . 49.1 t -134.46 107.41 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CG ' ' HB2' ' A' ' 97' ' ' SER . 17.6 pttp -95.89 140.12 31.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.879 HD21 ' HB3' ' A' ' 55' ' ' ASP . 7.1 mp -104.11 152.3 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -57.7 -24.93 59.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -69.59 -8.3 46.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.62 19.77 28.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 12' ' ' LYS . 1.4 t -91.4 169.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.17 119.77 0.9 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -111.33 168.55 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -137.61 140.44 40.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.679 ' CG ' HD11 ' A' ' 51' ' ' ILE . 89.5 m-85 -140.14 153.3 69.02 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.66 2.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.041 HD21 ' CB ' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -165.38 140.76 5.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.937 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 5.9 m-85 -110.64 143.98 40.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.395 1.059 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.509 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -64.99 113.1 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 139.84 -155.39 24.3 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -68.63 122.81 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 1.006 ' O ' HD23 ' A' ' 29' ' ' LEU . 3.6 m-20 -121.24 157.56 30.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.006 HD23 ' O ' ' A' ' 28' ' ' ASN . 23.3 mt -140.91 149.77 42.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -125.7 133.54 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.679 HG11 ' CA ' ' A' ' 36' ' ' ILE . 1.4 t -98.54 134.24 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CB ' ' A' ' 56' ' ' SER . 0.1 OUTLIER -113.94 119.48 37.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 90.37 -157.69 25.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -3.99 57.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.71 ' HB ' HD11 ' A' ' 61' ' ' ILE . 3.5 p -45.97 -31.31 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' CA ' HG11 ' A' ' 31' ' ' VAL . 2.1 tp -57.13 -35.11 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.379 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -67.12 -8.51 31.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.328 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 t -138.49 11.07 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.463 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.887 HD22 ' H ' ' A' ' 40' ' ' GLU . 1.2 tm? -58.57 152.67 17.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.887 ' H ' HD22 ' A' ' 39' ' ' LEU . 4.0 mt-10 -129.39 148.43 51.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -114.76 157.01 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.24 164.05 29.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -84.43 -54.04 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.37 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.09 9.22 38.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -123.31 25.29 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 46' ' ' PHE . 18.8 p90 -56.61 124.4 62.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.595 ' HG2' HD11 ' A' ' 50' ' ' ILE . 18.3 Cg_endo -74.93 162.24 37.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -23.66 47.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.606 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 48.6 t30 177.67 136.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.595 HD11 ' HG2' ' A' ' 47' ' ' PRO . 29.8 mt -117.05 124.32 72.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.356 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.774 HG23 HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -111.1 109.58 56.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.554 ' O ' HD13 ' A' ' 51' ' ' ILE . 18.4 Cg_endo -74.98 162.43 37.17 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 31' ' ' VAL . 7.9 t -134.55 83.15 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.6 p -81.36 4.95 18.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.438 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.879 ' HB3' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -96.56 16.47 18.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.598 ' CB ' ' CD1' ' A' ' 32' ' ' LEU . 1.5 t -102.94 129.1 49.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -73.04 -9.2 58.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.75 -164.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 11.1 m-20 -134.23 163.9 28.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.52 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 147.9 -178.14 25.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.71 HD11 ' HB ' ' A' ' 35' ' ' THR . 1.9 mp -143.06 154.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.306 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 63' ' ' TYR . 75.4 mt -139.64 167.54 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.83 ' CD1' HD22 ' A' ' 29' ' ' LEU . 20.8 m-85 -130.57 143.21 50.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' A' ' 30' ' ' ILE . 3.5 tp -141.37 125.14 16.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 64' ' ' LEU . 1.3 p -113.12 115.9 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.915 HD11 ' ND2' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -119.6 112.76 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.28 152.43 21.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -64.7 -11.76 39.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -86.34 14.23 6.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 69' ' ' ASP . 3.8 m-80 67.8 43.07 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 69' ' ' ASP . 1.5 mp -111.91 104.33 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.13 138.88 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 108.238 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' O ' HD12 ' A' ' 64' ' ' LEU . 1.5 mt-30 -147.81 146.92 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.86 ' CD1' HG21 ' A' ' 84' ' ' ILE . 9.7 m-85 -127.11 162.71 25.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -175.12 137.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.544 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -76.36 157.52 32.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.579 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -59.51 -14.82 14.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -3.94 31.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.68 27.34 38.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' ASP . 2.7 mm-40 -117.49 134.52 54.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -76.48 139.83 40.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.544 HD11 ' N ' ' A' ' 76' ' ' ASP . 3.1 mt -112.59 128.68 69.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.426 1.078 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.96 120.14 22.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.86 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -112.81 142.1 26.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -71.01 111.17 6.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.0 p -70.25 -5.82 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -96.09 -20.08 18.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.36 -23.7 8.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 43.54 43.48 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.61 145.66 23.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.997 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.606 ' CE2' ' CD1' ' A' ' 98' ' ' PHE . 25.6 p90 -139.31 175.27 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -134.35 144.47 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.37 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -168.39 147.93 4.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.558 ' OD2' HD12 ' A' ' 32' ' ' LEU . 36.0 m-20 55.54 21.94 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.3 6.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 1.7 mp -76.43 159.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.484 ' HB2' ' CG ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -124.76 143.97 50.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.969 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 15.8 m-85 -123.9 153.79 40.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -152.75 121.98 6.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.87 ' CD2' HD23 ' A' ' 9' ' ' LEU . 7.5 mt -109.31 118.55 36.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -130.73 146.62 52.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 7' ' ' PHE . 19.0 p-10 -81.39 117.54 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -46.61 99.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -120.01 132.46 55.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 110.232 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -154.14 91.33 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.84 97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -40.9 115.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -132.22 50.95 2.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.932 HD12 ' CZ ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -113.81 116.6 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.749 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -57.09 153.18 25.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 43.46 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.062 ' CB ' HD21 ' A' ' 23' ' ' LEU . 11.3 m-85 -132.05 166.3 22.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.51 146.57 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 22' ' ' PRO . 0.9 OUTLIER -92.42 149.4 21.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 98' ' ' PHE . 0.2 OUTLIER -135.7 136.77 41.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.855 HG11 ' CG1' ' A' ' 53' ' ' VAL . 87.1 t -136.01 107.67 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 97' ' ' SER . 0.0 OUTLIER -105.98 132.9 51.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.941 HD22 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -104.72 166.93 10.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.534 ' C ' ' H ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -63.0 -19.42 64.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.683 ' HB2' HD12 ' A' ' 13' ' ' LEU . 2.1 m-20 -70.7 9.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 14' ' ' THR . . . 67.65 22.13 73.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.655 ' CG1' HD21 ' A' ' 13' ' ' LEU . 39.7 t -102.61 166.32 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' N ' ' CG1' ' A' ' 17' ' ' VAL . . . -157.27 129.1 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.4 139.61 49.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 7.5 pt-20 -120.01 130.57 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.788 ' CD2' HD11 ' A' ' 51' ' ' ILE . 10.3 m-85 -128.41 156.52 76.82 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.609 ' HB2' HD11 ' A' ' 4' ' ' LEU . 18.2 Cg_endo -74.95 168.79 24.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.062 HD21 ' CB ' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -150.5 139.27 20.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 4' ' ' LEU . 4.8 m-85 -111.2 143.9 41.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' HB2' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -62.3 113.71 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . 140.86 -153.78 23.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.889 ' HA ' HG23 ' A' ' 65' ' ' THR . 4.5 m-80 -73.08 131.49 42.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 0.808 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -133.63 158.08 44.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.167 . . . . 0.0 109.357 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD11 ' CG2' ' A' ' 61' ' ' ILE . 2.7 tt -140.14 152.89 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.698 HD12 HG22 ' A' ' 62' ' ' ILE . 5.9 mt -124.32 127.4 73.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 36' ' ' ILE . 1.5 t -90.97 112.04 24.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD11 ' CB ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -101.33 119.57 38.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 59' ' ' ASP . . . 102.61 -162.76 16.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' GLU . 5.0 ptp180 -82.95 -2.82 56.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' HD11 ' A' ' 61' ' ' ILE . 4.2 p -46.52 -31.9 3.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.53 HD13 HG21 ' A' ' 31' ' ' VAL . 5.3 tp -57.26 -39.17 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -75.93 -3.62 36.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.0 m -127.9 14.28 6.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 40' ' ' GLU . 41.7 tp -89.0 162.92 15.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' N ' ' HG ' ' A' ' 39' ' ' LEU . 6.1 mp0 -129.44 157.74 41.13 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -125.15 162.77 23.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.436 1.085 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.3 -101.57 1.0 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -78.87 -7.43 57.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -104.83 10.79 34.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -82.64 46.12 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.57 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -55.26 -46.94 99.61 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 46' ' ' PHE . 18.3 Cg_endo -75.01 154.54 42.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.409 1.741 . . . . 0.0 111.001 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.6 tt0 -81.12 -21.18 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' HB2' ' CD1' ' A' ' 24' ' ' TYR . 9.3 t-20 -161.33 129.68 4.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.366 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.547 HD11 ' HG2' ' A' ' 47' ' ' PRO . 53.9 mt -111.3 146.32 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.788 HD11 ' CD2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -141.77 110.8 6.19 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.628 ' N ' HD13 ' A' ' 51' ' ' ILE . 18.3 Cg_endo -75.03 158.57 42.02 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.855 ' CG1' HG11 ' A' ' 11' ' ' VAL . 3.3 t -133.85 84.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.6 p -80.33 4.63 17.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.941 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.93 16.66 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.597 ' CB ' HD11 ' A' ' 32' ' ' LEU . 2.8 t -127.13 150.34 49.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -96.96 -7.61 32.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.206 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.43 169.72 11.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -127.34 142.85 51.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.728 ' C ' HD12 ' A' ' 61' ' ' ILE . . . 156.01 -160.51 30.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.574 1.171 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.728 HD12 ' C ' ' A' ' 60' ' ' GLY . 2.3 mp -156.02 121.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.233 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 30' ' ' ILE . 3.3 mt -96.11 163.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE1' HD12 ' A' ' 29' ' ' LEU . 53.6 m-85 -122.02 142.95 49.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -149.32 116.55 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.241 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.889 HG23 ' HA ' ' A' ' 27' ' ' ASN . 34.4 m -120.87 132.32 54.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.449 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.6 mt -128.26 144.26 38.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 t -105.0 163.8 12.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.102 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -68.68 -19.89 64.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' ASN . 37.0 m-20 -78.45 2.1 20.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 69' ' ' ASP . 1.8 t30 77.8 42.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 71' ' ' ILE . 1.5 mp -115.04 103.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -97.7 153.5 18.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.301 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -154.88 114.76 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.969 ' CD1' HG21 ' A' ' 84' ' ' ILE . 24.9 m-85 -93.7 157.68 16.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.427 ' OG ' ' C ' ' A' ' 80' ' ' GLU . 3.3 t -165.34 154.96 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.052 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.607 ' CG ' HD11 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.36 158.91 15.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.4 -17.42 4.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -6.71 21.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 23.2 57.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 6.3 tt0 -117.91 131.58 56.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 75' ' ' SER . 2.1 pt20 -75.56 132.81 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.607 HD11 ' CG ' ' A' ' 76' ' ' ASP . 12.1 mt -97.74 113.02 31.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -67.1 120.57 13.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.969 HG21 ' CD1' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -109.78 138.53 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.078 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 88' ' ' PHE . 12.4 p30 -81.28 111.46 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 78.2 p -60.42 -25.82 66.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -23.08 66.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' HB2' ' ND2' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -116.36 -23.31 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ASN . 41.0 m-20 45.32 38.71 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 p -155.16 151.6 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CZ ' ' CB ' ' A' ' 98' ' ' PHE . 5.0 p90 -143.14 175.01 10.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -133.06 146.22 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -168.64 142.6 3.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.44 22.61 9.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.8 -27.56 7.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.653 ' CG2' HG13 ' A' ' 11' ' ' VAL . 10.3 mm -67.73 159.28 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 0.738 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.476 ' HB3' ' CG ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -123.23 103.34 8.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.959 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . 72.7 m-85 -84.7 157.0 21.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.416 ' NE2' ' CG ' ' A' ' 101' ' ' LYS . 14.8 t60 -160.45 119.41 2.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.604 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.503 HD21 HD23 ' A' ' 9' ' ' LEU . 2.4 mm? -101.13 104.89 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' CG ' ' NE2' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -85.76 146.3 26.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.593 ' CB ' ' CE2' ' A' ' 7' ' ' PHE . 21.7 p-10 -125.46 161.64 26.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.388 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtm -128.57 -43.95 1.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.153 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.5 mtm105 60.81 122.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.2 122.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.256 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -60.13 3.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.243 -179.928 . . . . . . . . 1 1 . 1 stop_ save_