data_1uez_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 1uez _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.62 165.12 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -119.45 108.96 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 53' ' ' LEU . 73.7 t -102.18 140.65 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.436 ' N ' HG11 ' A' ' 12' ' ' VAL . 28.1 t -128.92 125.6 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.75 -19.8 48.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 17.2 p90 -127.52 136.16 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.47 153.29 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 37' ' ' ILE . 7.1 pt -112.39 167.16 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -150.42 168.32 24.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.92 -134.38 11.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.51 146.81 9.28 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -56.67 -22.71 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.42 -20.19 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 -8.83 16.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.17 2.21 64.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.34 166.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.72 -124.35 1.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.9 mm -131.9 144.82 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.2 m-85 -160.4 152.76 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 57' ' ' ASP . 76.5 t -66.05 130.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.97 -36.87 6.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 9.6 tt -145.03 143.48 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.72 117.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.97 140.35 96.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.97 166.17 29.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 30.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 13.8 p -101.09 177.09 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -71.5 -51.87 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.45 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.78 -28.39 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.63 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.08 -17.58 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . 122.31 -27.56 6.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.607 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -39.82 153.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -170.94 147.46 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 5.2 t -53.57 102.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.85 40.18 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 3.6 m-20 -118.8 172.93 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.445 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 64.2 tt0 -132.41 109.0 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' A' ' 89' ' ' VAL . 15.9 mm -70.51 90.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 35.4 mt -68.4 -47.58 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -135.98 159.38 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 p -143.47 112.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t-20 79.78 -56.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -172.21 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.3 145.04 54.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -99.07 119.28 37.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 19.4 mt -68.1 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.89 -75.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -148.89 89.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.7 m -134.07 154.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -53.96 151.43 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.501 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.6 t-80 -53.6 -25.88 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.19 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -70.07 -56.51 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.38 -51.27 63.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 94.9 t -56.16 -52.06 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -53.58 -20.66 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.06 -34.73 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 23' ' ' LEU . 6.1 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.453 ' CD2' HD13 ' A' ' 87' ' ' LEU . 37.2 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.2 t -119.93 106.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -85.65 119.22 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.34 110.99 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -124.39 142.31 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 5.3 t80 -99.37 145.9 26.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' NH2' ' HA3' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -95.29 164.78 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.74 104.02 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 53' ' ' LEU . 74.3 t -94.6 145.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 12' ' ' VAL . 12.4 t -128.13 130.32 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' CD2' HG11 ' A' ' 12' ' ' VAL . 2.8 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.16 -0.45 22.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 30.4 p90 -139.11 133.94 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.65 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 79' ' ' LEU . 1.8 pt -114.19 161.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -144.07 171.38 14.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 -153.83 17.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.27 138.12 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 t -58.65 -33.97 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -55.51 -36.0 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.99 -26.76 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.68 -7.88 27.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.03 172.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.22 -123.59 2.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.452 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 8.8 mm -131.22 145.65 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 79.7 m-85 -159.45 150.38 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.73 136.62 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -111.24 -35.55 5.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.1 tm? -148.93 148.31 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -136.47 123.26 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.46 141.46 95.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 158.94 42.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.28 33.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.2 p -103.76 172.81 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.5 tp -67.2 -52.27 43.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.8 -59.26 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.83 -40.15 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -62.93 -35.24 79.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' LEU . 19.7 mm-40 -68.01 -24.63 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.417 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 125.5 -17.39 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.582 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -45.94 158.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.28 132.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.2 t -45.06 117.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.95 -32.43 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.43 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 64.4 tt0 -142.56 113.4 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 89' ' ' VAL . 16.4 mm -69.6 93.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 26.3 mt -72.7 -52.03 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 32.5 mtt180 -131.8 163.26 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -143.54 113.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 4.3 t-20 79.61 -62.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -163.87 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.7 161.84 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.7 p -109.81 138.88 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 47.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 99.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 39.79 82.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.6 m -132.45 149.93 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.7 p -56.77 160.77 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.2 t-80 -60.61 -29.74 69.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.3 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 42.1 mm-40 -67.27 -57.52 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.93 -50.5 63.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 88.6 t -53.75 -57.01 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -51.9 -22.06 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' CB ' HG13 ' A' ' 62' ' ' VAL . . . -88.08 -46.23 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 27' ' ' ILE . 7.5 mt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.4 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.69 103.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -78.41 122.39 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -97.7 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -120.74 146.98 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 7.1 t80 -103.74 114.55 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' CG ' HG22 ' A' ' 89' ' ' VAL . 2.2 ptt180 -94.59 169.79 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -126.07 101.07 6.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 69.5 t -95.9 143.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.415 ' N ' HG11 ' A' ' 12' ' ' VAL . 5.1 t -128.78 115.11 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.587 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.48 7.59 56.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 8.3 p90 -143.99 131.64 21.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 165.63 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.37 167.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' TYR . 10.4 ptt180 -155.29 166.2 34.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.61 -151.9 18.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.35 148.16 5.6 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -63.4 -28.12 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.45 -28.78 69.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -12.35 32.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.64 82.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.11 165.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.78 -126.41 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.494 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 7.4 mm -132.84 146.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 33.2 m-85 -160.11 161.2 33.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG2' ' OD1' ' A' ' 57' ' ' ASP . 44.8 t -74.5 137.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.5 p -106.84 -26.69 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.3 tm? -153.29 148.52 26.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' N ' HD11 ' A' ' 41' ' ' LEU . 3.0 t -136.68 119.56 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.96 142.34 97.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.97 163.51 35.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.09 30.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.423 1.077 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 2.2 p -99.52 174.13 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' GLU . 8.4 tp -68.48 -55.28 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -43.9 -65.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -27.89 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -79.52 -30.45 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 12' ' ' VAL . 12.9 mm-40 -77.49 -17.06 58.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.05 7.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.31 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 171.78 145.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.4 t -50.41 113.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.23 -26.7 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' OD1' ' CG2' ' A' ' 39' ' ' VAL . 7.3 p-10 -56.28 170.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -128.96 113.31 15.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mm -77.44 90.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 24.0 mt -67.05 -62.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 14.5 mtp180 -121.37 168.21 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.6 113.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.423 ' N ' HD11 ' A' ' 85' ' ' LEU . 1.8 t-20 71.16 -63.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -157.38 -45.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 150.74 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -105.66 129.46 53.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.48 47.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.97 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 89.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.4 m -136.01 158.47 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -66.75 159.22 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.444 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.4 t-80 -53.21 -33.13 51.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -51.67 45.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.6 mm-40 -52.43 -52.5 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.451 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -53.65 -53.36 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 94.5 t -55.51 -57.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -52.72 -21.73 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.83 -39.92 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 87' ' ' LEU . 15.8 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 t -111.04 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 85' ' ' LEU . 1.5 mm? -78.87 118.87 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.2 m -96.36 106.79 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -125.03 149.55 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 2.8 t80 -98.56 109.49 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.2 ptp180 -103.03 169.74 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.31 102.01 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 14' ' ' LEU . 70.7 t -94.79 141.14 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 p -128.84 121.47 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HG11 ' A' ' 12' ' ' VAL . 4.4 mm? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.37 45.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 9.9 p90 -129.91 130.89 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.84 164.2 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.02 158.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 0.5 OUTLIER -146.66 171.86 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.18 -154.94 18.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.68 135.58 3.92 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.61 -28.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.66 -59.51 3.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -19.55 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.71 42.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.25 171.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.9 -125.95 1.74 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 12.4 mm -131.08 145.55 35.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 79.8 m-85 -157.93 151.55 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.31 136.05 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 p -113.81 -30.89 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.5 tm? -146.69 148.21 31.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.413 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.8 t -136.53 120.36 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.91 137.9 94.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.95 160.74 39.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.43 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.6 p -100.78 176.87 5.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' CD2' ' CG ' ' A' ' 51' ' ' GLU . 7.8 tt -67.71 -51.43 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -44.12 -68.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.87 -22.79 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -33.03 39.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' CG ' ' CD2' ' A' ' 47' ' ' LEU . 17.6 mm-40 -78.45 -11.51 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.31 -18.85 20.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.518 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -44.89 160.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.76 155.47 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 42' ' ' VAL . 72.2 t -64.11 118.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.94 -26.48 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.43 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.577 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 67.1 tt0 -138.51 110.15 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.437 HD12 ' CG1' ' A' ' 89' ' ' VAL . 12.7 mm -73.8 83.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 30.0 mt -60.13 -60.94 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.1 mtm180 -112.89 162.85 15.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 79' ' ' LEU . 1.8 p -140.83 113.85 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 70.23 -62.99 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -157.42 -45.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -67.27 157.49 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.3 p -111.13 123.57 50.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -83.68 50.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.56 -58.51 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -142.91 80.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 29.6 m -136.14 154.13 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -60.15 176.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.407 ' NE2' ' HA ' ' A' ' 28' ' ' ARG . 12.2 t-80 -71.51 -35.11 70.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.26 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.5 mm-40 -56.11 -59.36 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.01 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.44 -60.15 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -20.87 28.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -85.5 -24.79 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 62' ' ' VAL . 7.7 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 86' ' ' VAL . 3.7 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 85' ' ' LEU . 42.7 t -98.2 101.13 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HG ' ' CZ ' ' A' ' 25' ' ' PHE . 1.5 mm? -74.03 121.36 20.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -95.42 104.66 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.58 147.8 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 91' ' ' SER . 2.3 t80 -101.69 126.25 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 8.6 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 60' ' ' LEU . 50.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.8 ptp180 -94.37 168.33 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -122.47 104.87 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG11 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -97.69 144.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.411 ' N ' HG12 ' A' ' 12' ' ' VAL . 1.5 m -127.99 124.9 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' HG11 ' A' ' 12' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.26 -0.02 7.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 29.4 p90 -137.07 135.05 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.86 157.5 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 pt -128.1 165.35 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -149.64 174.63 12.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.09 -157.87 14.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.5 146.42 4.63 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.4 t -65.52 -12.1 49.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.42 -23.32 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.76 0.4 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.45 6.8 88.08 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 164.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.68 -124.81 0.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -133.05 149.91 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 70.7 m-85 -161.02 154.34 21.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.17 140.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -42.5 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 tm? -146.99 150.71 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -136.57 121.81 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.08 140.2 95.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -75.01 166.64 28.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 31.31 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' PRO . 26.2 p -104.29 178.15 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 tp -73.4 -42.36 62.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -51.51 -67.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.02 -26.24 5.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 47' ' ' LEU . 33.0 mm-40 -75.81 -17.08 59.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.82 -22.52 9.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.591 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -44.52 160.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.08 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 79.0 t -51.5 119.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.7 -40.34 1.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.4 170.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 65.7 tt0 -127.77 105.99 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 89' ' ' VAL . 19.8 mm -67.14 79.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 9' ' ' VAL . 46.4 mt -60.32 -59.56 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 54.8 mtm180 -119.7 166.11 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.43 116.44 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.49 -61.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -67.55 156.35 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -106.16 131.75 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -92.85 46.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.84 -77.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -132.79 88.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.8 m -135.9 150.67 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.4 p -58.98 156.54 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.48 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 13.1 t-80 -55.02 -30.5 59.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.06 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -61.65 -55.45 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -54.28 -47.03 72.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 86.9 t -63.5 -39.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -66.1 -17.68 64.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.65 -25.98 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' ALA . 4.2 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 87' ' ' LEU . 2.0 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.5 105.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -79.61 128.26 33.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.3 m -103.11 101.69 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -113.63 150.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -77.5 124.48 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' NH2' ' HA3' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -97.26 167.28 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.51 106.9 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 86.0 t -96.84 143.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 12' ' ' VAL . 23.3 t -127.94 123.31 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.6 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.2 -17.82 54.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 15.7 p90 -129.68 130.19 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.62 151.75 21.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -117.28 159.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -141.91 171.76 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.42 -154.31 20.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.53 172.05 12.83 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -88.97 43.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.57 -37.65 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -12.64 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.25 43.26 3.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.93 -178.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.81 -130.13 6.86 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 12.7 mm -130.47 144.15 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 64.6 m-85 -157.26 152.13 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.27 137.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -39.45 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 tt -149.55 141.2 23.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.68 119.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 135.1 89.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -21.13 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.28 30.13 8.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 p -113.01 -179.89 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.2 tp -80.4 -46.55 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.94 -52.82 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.39 -32.86 69.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.7 mttt -73.69 -27.98 61.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -77.24 -18.78 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 119.93 -24.53 7.86 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -40.8 159.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 0.731 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.94 138.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.1 t -42.9 119.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.43 -36.51 2.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -52.2 -177.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' HG2' ' CD2' ' A' ' 60' ' ' LEU . 58.4 tt0 -141.78 112.28 7.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 89' ' ' VAL . 14.7 mm -70.67 89.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 18.3 mt -70.19 -43.88 69.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.2 mtt180 -138.62 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 67' ' ' LEU . 5.1 p -143.6 115.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 75.39 -59.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.31 -44.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -71.9 150.27 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 p -94.47 145.3 24.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD2' HG11 ' A' ' 62' ' ' VAL . 8.9 mt -90.94 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' ARG . . . -50.09 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER 39.1 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -137.43 143.98 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 p -49.27 147.4 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.4 t-80 -49.95 -30.99 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.05 -35.19 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 41.4 mm-40 -66.45 -56.02 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.32 -53.98 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 61.6 t -55.1 -53.45 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -53.47 -21.62 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.17 -40.38 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' CD2' HG22 ' A' ' 62' ' ' VAL . 13.7 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 87' ' ' LEU . 2.2 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -101.85 102.17 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -77.12 121.15 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 19.7 m -94.85 112.06 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.16 157.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 15.3 t80 -119.47 128.93 54.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -94.82 164.7 12.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.34 105.13 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 14' ' ' LEU . 65.7 t -95.06 144.98 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 12' ' ' VAL . 13.5 p -128.57 123.28 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 12' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.29 -7.22 28.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 23' ' ' LEU . 20.1 p90 -131.01 133.93 46.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 154.28 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pt -118.44 165.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -148.25 158.99 44.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.13 -153.37 17.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.1 145.66 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -60.25 -32.55 71.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.89 -17.85 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.27 -25.06 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.83 7.92 49.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.17 163.61 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.83 -131.34 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 5.7 mm -130.46 148.49 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 41.5 m-85 -162.42 156.85 21.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.1 132.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 p -115.88 -13.08 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -153.58 141.48 20.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -137.0 125.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 128.59 93.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.42 37.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.33 23.42 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -105.07 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -71.14 -53.44 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -43.11 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -49.49 -33.23 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.57 -32.56 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CB ' HG11 ' A' ' 12' ' ' VAL . 19.3 mm-40 -72.59 -18.64 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.03 -11.19 22.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -53.58 166.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER 166.64 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -38.91 144.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 55' ' ' VAL . . . 108.66 -32.98 6.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CG ' ' NH2' ' A' ' 10' ' ' ARG . 22.0 m-20 -57.91 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -138.81 110.85 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.444 ' CD1' HG12 ' A' ' 89' ' ' VAL . 16.9 mm -71.65 78.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 36.7 mt -54.17 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.2 mtt180 -117.03 166.89 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 8.8 p -143.32 111.34 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 75.51 -58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -166.08 -46.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.37 157.39 37.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.4 p -103.86 143.44 32.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt -87.65 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 90.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' LEU . 46.3 mtt180 42.69 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.3 m -136.41 150.47 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.4 p -57.7 150.88 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 t-80 -51.11 -29.7 14.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.4 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -66.08 -56.88 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -50.28 -51.2 46.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 84.3 t -56.16 -61.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -21.97 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -84.83 -30.69 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 75' ' ' ALA . 4.4 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 87' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -96.32 109.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.56 121.15 27.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 1.9 m -97.61 106.75 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -121.24 142.63 36.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 3.6 t80 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.0 163.09 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.02 106.41 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 69.4 t -94.53 142.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 12' ' ' VAL . 11.5 p -128.75 120.15 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.76 -30.07 4.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.612 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.9 p90 -117.88 126.72 52.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.24 160.83 16.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 pt -122.1 163.13 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 18.6 ptt85 -146.95 175.71 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -139.2 16.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.05 155.35 12.79 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 70' ' ' VAL . 2.0 t -47.28 -24.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.1 -46.1 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 1.57 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.34 77.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.92 163.6 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.32 -132.41 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.9 mm -131.26 134.3 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 69.3 m-85 -144.83 153.6 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.24 138.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 t -110.34 -39.66 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.1 tm? -144.71 149.76 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.0 t -136.66 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.96 139.35 95.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.04 163.24 35.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.8 31.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PRO . 17.7 p -101.25 177.59 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.95 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.32 -49.86 38.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -48.99 -66.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.5 -32.9 13.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -71.31 -31.91 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ALA . 13.5 mm-40 -72.47 -21.05 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.99 -18.57 8.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -48.58 163.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 168.22 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ARG . 79.1 t -40.49 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.5 -44.08 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.74 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 66.0 tt0 -138.53 111.98 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' A' ' 89' ' ' VAL . 14.0 mm -68.41 85.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 23.0 mt -64.45 -56.46 14.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 66.2 mtt180 -123.13 164.66 18.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 79' ' ' LEU . 5.4 p -143.42 107.67 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER 77.62 -57.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -167.19 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 141.94 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.0 p -92.85 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' ALA . 9.6 mt -90.28 48.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -40.56 -72.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -143.63 81.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 25.7 m -126.5 151.38 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -64.68 159.14 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.481 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.8 t-80 -55.73 -31.83 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.79 -32.04 71.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -71.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.84 -45.19 20.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 95.5 t -62.45 -54.64 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.31 -19.92 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -87.32 -42.58 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD21 ' CG2' ' A' ' 62' ' ' VAL . 2.6 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 62' ' ' VAL . 2.0 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 ' N ' HD11 ' A' ' 85' ' ' LEU . 54.2 t -96.13 107.73 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -80.07 121.8 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -95.96 105.15 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -116.35 153.29 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.465 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 8.9 t80 -122.69 116.7 24.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.9 ptt180 -94.49 169.68 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.0 mt -125.09 103.09 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 14' ' ' LEU . 54.5 t -96.42 144.44 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 p -129.2 120.0 25.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HG11 ' A' ' 12' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.89 -8.09 4.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 40.8 p90 -131.64 143.47 50.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.62 143.22 28.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 pt -105.64 168.29 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.57 175.84 13.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.67 -143.48 16.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.23 157.42 9.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -63.67 -28.87 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.35 -43.14 74.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -15.93 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 -3.16 59.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.36 164.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.16 -125.44 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 17.0 mm -129.86 142.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 61.3 m-85 -159.86 152.98 21.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' OD1' ' A' ' 57' ' ' ASP . 45.7 t -75.64 136.71 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -111.13 -19.47 12.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 55' ' ' VAL . 9.0 tt -153.24 148.73 27.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 39' ' ' VAL . 3.2 t -136.63 117.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.02 136.96 94.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 166.6 28.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.5 30.93 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.8 p -105.79 177.57 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.4 tp -70.0 -55.21 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.21 -62.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.25 -26.56 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -77.11 -33.32 56.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' CB ' HG12 ' A' ' 12' ' ' VAL . 9.5 mm-40 -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.62 -18.18 15.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -40.84 155.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 140.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 41' ' ' LEU . 32.8 t -46.26 112.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.06 -28.84 2.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' CG2' ' A' ' 39' ' ' VAL . 3.7 p-10 -49.75 172.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.442 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 57.0 tt0 -137.68 112.69 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 mm -75.88 99.16 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 15.4 mt -80.88 -44.33 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 75.7 mtt180 -133.65 165.62 24.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.49 117.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 71.0 -60.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.63 -45.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -68.93 157.27 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -102.57 148.99 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 12.3 mt -94.09 43.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.66 96.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 42.69 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.77 136.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.5 p -47.77 156.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.0 t-80 -56.83 -31.03 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.58 69.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.21 -62.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.227 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 67' ' ' LEU . . . -45.28 -45.72 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 88.8 t -57.35 -53.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.84 -20.95 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.58 -48.6 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.0 t -109.14 106.17 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -83.99 119.63 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 2.5 m -93.87 110.55 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -126.23 146.24 32.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 4.5 t80 -98.81 122.12 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 163.85 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -120.5 108.46 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 76.8 t -102.23 141.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 12' ' ' VAL . 2.5 m -127.41 112.38 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.55 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.95 -4.05 6.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 41.9 p90 -130.95 138.12 49.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 142.83 27.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.8 pt -107.8 165.44 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -147.86 176.2 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.641 ' N ' ' HE ' ' A' ' 28' ' ' ARG . . . 90.53 -146.95 18.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.39 155.02 8.35 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -61.64 -33.41 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.57 -26.07 67.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -93.28 -21.69 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.92 -2.45 44.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.53 168.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.57 -121.89 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.593 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 5.5 mm -132.35 147.42 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 54.0 m-85 -162.25 155.39 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -82.08 131.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -116.84 -13.02 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.3 tm? -153.74 141.82 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 54' ' ' ARG . 2.7 t -137.08 126.08 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.01 137.6 94.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.67 30.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.4 p -104.66 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.9 tp -67.82 -50.55 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.03 -65.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.58 -41.76 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -62.78 -33.22 74.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 69.7 mm-40 -72.23 -16.45 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 -13.54 24.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -50.31 165.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 1.6 mtt180 166.82 134.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -39.16 145.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.431 ' N ' HG21 ' A' ' 55' ' ' VAL . . . 107.67 -30.75 8.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.74 179.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.441 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 63.4 tt0 -135.53 109.11 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mm -68.54 80.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 46.7 mt -57.13 -60.59 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -125.12 162.42 24.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 9.8 p -143.51 114.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 5.0 t-20 81.68 -58.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -72.74 163.28 28.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 m -105.91 140.47 38.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.9 mt -97.84 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 116.37 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.62 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 24.0 m -144.45 145.59 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.0 p -57.7 147.32 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.48 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.0 t-80 -48.51 -28.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.607 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.03 -40.01 71.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 22.6 mm-40 -59.05 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -49.67 -50.86 41.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 99.6 t -55.85 -53.2 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -52.71 -21.47 4.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.74 -34.89 12.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 62' ' ' VAL . 2.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 t -94.45 106.31 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -90.61 119.45 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.37 110.58 23.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.12 141.87 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 91' ' ' SER . 9.4 t80 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.588 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 42.7 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 6.8 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -141.44 145.34 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -97.26 102.5 14.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 51' ' ' GLU . 50.8 t -94.02 148.02 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.38 126.37 40.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 12' ' ' VAL . 3.5 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.584 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.25 -9.05 4.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -129.1 132.72 47.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.67 141.24 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.71 160.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 3.6 ptt180 -145.79 175.34 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.29 -152.21 17.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.5 141.42 4.45 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 p -58.64 -24.68 61.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -57.06 -36.42 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -19.47 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.96 -2.99 41.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -107.46 151.35 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.37 -122.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.8 mm -132.95 148.99 31.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 82.5 m-85 -158.18 163.83 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.21 139.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.8 p -115.86 -35.85 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.3 tm? -143.85 146.5 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.67 123.01 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.14 140.51 95.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 158.29 42.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.92 30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 9.0 p -96.46 -175.86 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.74 -54.39 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.92 -38.14 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -34.94 79.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CB ' HG11 ' A' ' 12' ' ' VAL . 69.3 mm-40 -73.96 -24.61 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.4 -22.55 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -41.96 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 172.71 133.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -40.23 119.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.34 -37.91 1.9 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.15 -179.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.559 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 65.9 tt0 -138.57 116.31 11.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CD1' HG13 ' A' ' 89' ' ' VAL . 15.1 mm -74.2 94.95 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -71.16 -52.05 21.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -122.52 164.61 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.527 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -142.48 111.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.24 -63.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' VAL . 48.0 t0 -155.26 -46.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.33 155.02 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.6 p -109.53 130.16 55.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -87.77 47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.12 22.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.54 77.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 31.5 m -132.42 154.68 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.8 p -64.07 166.16 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.418 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 5.9 t-160 -63.09 -29.28 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.94 71.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 30.2 mm-40 -64.27 -65.32 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.54 -50.85 9.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 60.1 t -57.93 -56.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -57.04 -21.28 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -90.25 -21.93 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 62' ' ' VAL . 9.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 87' ' ' LEU . 1.1 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.4 t -97.15 109.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.2 119.78 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.2 m -101.94 100.0 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.32 150.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -106.26 117.44 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.47 ' CG ' HG21 ' A' ' 89' ' ' VAL . 5.6 ptp180 -97.08 169.72 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.2 mt -125.03 101.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 14' ' ' LEU . 62.4 t -95.51 143.62 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.83 119.48 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 110.041 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.77 -8.01 4.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.9 p90 -132.72 133.59 43.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.54 139.75 30.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.84 158.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -142.08 170.8 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.83 -158.55 16.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.3 135.39 3.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 p -42.07 -35.41 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -56.74 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -22.14 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -4.21 39.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.8 m -105.27 172.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.57 -128.1 2.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -129.72 145.38 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.7 m-85 -159.02 153.93 24.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG1' HG21 ' A' ' 42' ' ' VAL . 61.4 t -70.59 134.34 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -111.88 -28.97 7.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 3.2 tm? -152.63 141.03 20.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.78 118.88 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 132.0 91.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.81 16.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 30.34 9.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.2 p -114.52 177.94 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 3.8 tp -77.76 -52.2 9.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -59.86 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.9 -44.02 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -69.78 -29.73 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CB ' HG13 ' A' ' 12' ' ' VAL . 8.3 mm-40 -72.02 -22.31 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.0 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -40.5 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.38 141.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.9 t -44.83 120.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.63 -42.62 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -48.69 175.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 65.7 tt0 -137.88 116.1 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 89' ' ' VAL . 16.2 mm -69.63 85.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 27.9 mt -64.57 -44.18 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.4 mtm180 -137.27 168.6 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 79' ' ' LEU . 7.4 p -143.25 111.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.51 -62.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -158.26 -46.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -68.92 144.09 54.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 p -97.7 141.56 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.59 44.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.14 -58.65 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.82 88.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.4 m -136.12 145.71 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -54.66 157.13 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -53.92 -37.62 64.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.01 -53.13 36.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.24 -55.06 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -55.57 -22.91 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.98 -44.32 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 62' ' ' VAL . 10.8 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 87' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.97 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -78.41 123.84 27.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.5 m -100.26 100.97 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -116.52 154.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.466 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 4.4 t80 -109.14 118.66 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 60' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -127.27 147.89 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.23 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG13 ' CD2' ' A' ' 14' ' ' LEU . 48.6 t -93.95 147.68 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -128.42 128.49 44.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' HG13 ' A' ' 12' ' ' VAL . 4.2 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.0 -27.33 9.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 15.9 p90 -119.54 134.89 55.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 158.1 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 79' ' ' LEU . 10.5 pt -118.17 168.3 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -151.51 172.99 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.4 -134.53 13.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.69 174.4 19.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -63.29 -21.06 66.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.05 -25.54 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.69 -5.04 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.74 -2.72 87.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -104.94 -175.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.96 -126.51 4.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 27' ' ' ILE . 9.2 mm -131.76 120.2 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 77.4 m-85 -131.52 143.39 50.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.09 137.23 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 p -114.24 -42.37 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 7.7 tt -138.3 149.31 45.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.414 HG21 ' N ' ' A' ' 55' ' ' VAL . 9.7 t -136.58 119.51 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.94 139.41 95.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.1 Cg_endo -74.98 165.99 30.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.16 29.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.9 p -99.43 170.55 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.0 tp -70.63 -48.53 54.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.0 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.36 -34.05 68.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -73.02 -32.31 65.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' CB ' HG11 ' A' ' 12' ' ' VAL . 44.4 mm-40 -70.12 -21.59 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.74 -21.49 5.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.549 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -44.4 166.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.61 137.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 38.1 t -44.07 110.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.43 -40.48 1.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -53.98 172.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 44.8 tt0 -136.49 118.52 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CD1' HG11 ' A' ' 89' ' ' VAL . 15.7 mm -71.84 109.92 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -92.76 -29.62 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -149.21 158.59 44.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 6.3 p -143.55 110.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 81.71 -57.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -168.84 -46.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -67.9 160.13 29.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.8 p -106.33 139.88 40.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.13 43.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.74 -60.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -153.39 93.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.8 m -136.31 154.29 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.7 p -60.56 145.05 50.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.507 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.3 t-80 -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -50.56 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 24.0 mm-40 -49.29 -61.37 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.8 -54.33 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 98.5 t -52.84 -57.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.31 -23.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -89.7 -48.09 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 62' ' ' VAL . 7.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 87' ' ' LEU . 28.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.82 109.73 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -83.69 119.46 24.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -98.83 104.07 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -115.28 139.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.446 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 5.7 t80 -92.82 124.53 36.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 10' ' ' ARG . 60.6 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 77.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 89' ' ' VAL . 7.4 ptp180 -98.89 169.84 9.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -123.21 105.12 9.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 14' ' ' LEU . 72.8 t -97.42 141.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.455 ' N ' HG13 ' A' ' 12' ' ' VAL . 26.3 t -127.12 113.43 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.22 -3.16 16.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 23' ' ' LEU . 12.2 p90 -133.58 132.89 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 150.09 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 3.3 pt -113.94 159.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -145.82 175.98 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.3 -121.61 5.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 83.74 166.93 41.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -48.43 -45.26 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' A' ' 72' ' ' HIS . 12.9 pt-20 -47.7 -39.8 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 -32.07 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.642 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.18 24.85 6.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG22 ' CE2' ' A' ' 38' ' ' TYR . 1.4 p -137.47 -150.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 0.794 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.547 ' N ' ' CG1' ' A' ' 35' ' ' VAL . . . -106.1 -122.33 4.96 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 10.1 mm -133.54 117.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CE2' HG22 ' A' ' 35' ' ' VAL . 22.3 m-85 -123.9 150.75 44.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 42' ' ' VAL . 24.9 t -78.95 128.75 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -101.0 -40.7 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -139.36 148.8 43.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' CG2' HG11 ' A' ' 39' ' ' VAL . 2.6 t -135.43 129.42 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 123.03 88.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.27 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.43 24.15 1.55 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 p -105.19 -170.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 tp -74.77 -56.22 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -45.92 -65.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -26.85 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 46' ' ' SER . 7.7 mttp -79.23 -29.28 42.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' ALA . 26.1 mm-40 -74.6 -14.91 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' C ' ' NH1' ' A' ' 10' ' ' ARG . . . 118.15 -23.11 9.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -40.21 155.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.2 t -44.77 113.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.28 -38.16 1.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.36 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -140.07 110.94 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.472 HD12 ' CG1' ' A' ' 89' ' ' VAL . 21.5 mm -68.93 81.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 46.2 mt -54.74 -58.76 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -124.0 170.53 10.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -142.99 112.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 4.4 t-20 70.32 -61.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -159.46 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 149.89 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.374 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.3 p -104.99 123.51 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -84.61 50.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.83 -55.32 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.27 78.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -131.12 150.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.3 p -56.6 161.41 2.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CB ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t-80 -62.91 -23.9 67.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.56 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -33.76 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 23.2 mm-40 -61.05 -67.56 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -41.02 -51.97 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.3 t -56.53 -56.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -55.32 -22.28 18.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.0 -23.45 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 62' ' ' VAL . 2.7 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 63' ' ' ASN . 3.6 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t -102.32 101.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.8 mm? -75.6 121.49 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -94.01 102.03 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.472 ' CG1' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -113.53 156.06 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.471 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 7.8 t80 -116.81 149.06 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.978 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' NH2' ' HA3' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -94.55 165.79 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.18 106.28 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -98.67 143.7 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.43 ' N ' HG11 ' A' ' 12' ' ' VAL . 15.8 t -128.29 125.05 38.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD2' HG11 ' A' ' 12' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.42 -26.81 12.47 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 29.4 p90 -117.45 132.02 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 142.52 27.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 pt -104.73 164.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -151.81 163.34 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.63 -134.1 11.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.73 164.84 16.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -77.13 55.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -128.43 -43.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -17.19 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.31 40.95 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 11.3 m -129.77 -142.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . -138.69 -124.61 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 75' ' ' ALA . 6.6 mm -132.91 101.61 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' A' ' 58' ' ' GLN . 92.7 m-85 -120.78 151.37 39.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 147.66 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p -116.82 -38.98 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 tm? -146.34 143.49 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.413 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.4 t -136.58 119.09 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 1.5 mt-10 -66.93 129.1 94.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.29 16.93 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.35 32.43 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 59.4 p -117.15 -178.55 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -80.67 -46.73 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.42 -57.45 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.21 -37.91 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CB ' HG12 ' A' ' 12' ' ' VAL . 11.9 mm-40 -74.13 -20.51 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 121.7 -24.14 7.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -43.8 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.401 ' CA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.36 157.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 70.4 t -61.59 118.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.87 2.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -52.96 -179.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 1.2 tm0? -141.42 118.44 11.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 HD13 ' CG1' ' A' ' 89' ' ' VAL . 17.1 mm -75.08 86.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -62.67 -54.03 45.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.488 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 5.9 mtt180 -124.72 170.15 11.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.1 p -143.36 107.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 68.29 -66.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -147.53 -45.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -66.66 160.79 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 127.89 54.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -86.8 46.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.15 98.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 57.05 66.98 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 10.4 m -132.6 138.76 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -44.77 164.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.4 t-80 -61.46 -39.9 92.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.08 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -53.9 -65.18 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -53.28 -51.43 62.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 78.9 t -51.29 -58.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.19 -24.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.411 ' CB ' HG12 ' A' ' 62' ' ' VAL . . . -89.87 -43.16 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.448 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 4.5 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 87' ' ' LEU . 1.2 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.9 t -98.37 103.16 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -79.06 123.76 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -99.16 111.91 24.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -129.37 149.48 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.479 ' CZ ' ' O ' ' A' ' 91' ' ' SER . 5.9 t80 -107.59 144.4 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 90' ' ' TYR . 7.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 60' ' ' LEU . 1.8 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' CG ' HG23 ' A' ' 89' ' ' VAL . 4.3 ptp180 -104.46 169.58 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.68 101.91 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 75.7 t -97.87 140.42 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' HG12 ' A' ' 12' ' ' VAL . 43.0 t -127.36 117.13 21.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.2 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.587 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 -18.35 36.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 6.1 p90 -123.83 135.39 53.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.47 169.78 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 HG13 ' NE2' ' A' ' 72' ' ' HIS . 9.4 pt -128.95 166.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -149.65 169.2 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' CA ' HG23 ' A' ' 35' ' ' VAL . . . 82.74 -134.64 13.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 104.19 179.51 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 36.1 t -62.05 -156.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 31' ' ' SER . 3.5 tp10 66.81 -68.77 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -68.52 -40.27 80.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 44.38 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.4 HG23 ' CA ' ' A' ' 29' ' ' GLY . 12.0 m -140.56 152.48 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -74.64 -136.0 0.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 19.7 mm -124.54 149.06 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 33.5 m-85 -162.06 159.3 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.96 135.27 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 t -118.04 -11.18 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -153.82 141.37 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 54' ' ' ARG . 2.1 t -137.28 125.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.83 133.45 94.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 164.71 32.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.28 29.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PRO . 6.7 p -106.14 -178.82 3.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.3 tp -69.38 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -43.01 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.4 -28.69 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 tttp -74.37 -33.72 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' ALA . 62.2 mm-40 -75.17 -14.57 60.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.55 -19.02 24.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -42.71 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER 172.04 137.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -39.04 146.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.438 ' N ' HG22 ' A' ' 55' ' ' VAL . . . 103.2 -15.66 54.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.57 170.81 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 61.2 tt0 -127.82 110.32 12.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 37' ' ' ILE . 10.4 mm -75.26 88.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 11.7 mt -70.39 -43.92 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 15.5 mtt85 -133.34 157.64 44.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 79' ' ' LEU . 5.9 p -139.38 112.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.13 -57.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 -43.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -69.78 158.79 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.0 p -104.0 140.15 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -104.44 47.43 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.05 -70.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.77 94.04 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 17.6 m -138.71 144.47 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 p -46.02 164.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.455 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.2 t-80 -65.5 -30.41 71.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.16 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 27.1 mm-40 -67.07 -62.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -47.17 -47.75 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 66.4 t -58.78 -54.74 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.08 -20.96 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -85.87 -37.08 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 62' ' ' VAL . 9.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 2.7 tp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.48 100.69 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 1.1 mm? -74.11 130.29 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 4.3 m -105.09 113.34 26.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -130.64 134.47 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.443 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 3.4 t80 -83.1 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.489 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -94.55 169.82 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -120.96 110.61 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 14' ' ' LEU . 48.3 t -105.7 141.98 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -129.37 124.16 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.5 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.75 -24.43 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 22.1 p90 -123.5 137.33 54.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 146.38 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.86 164.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -149.69 175.53 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -137.69 13.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.4 151.76 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.4 p -64.72 -22.83 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.51 -15.54 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.27 9.01 49.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.52 178.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.13 -127.37 5.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mm -125.46 134.92 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG ' ' A' ' 58' ' ' GLN . 99.0 m-85 -152.38 146.89 25.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 42' ' ' VAL . 36.2 t -61.9 140.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 p -114.71 -36.5 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.1 tm? -148.06 141.79 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 39' ' ' VAL . 2.6 t -136.87 117.97 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 1.4 mt-10 -67.68 136.68 92.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -19.43 17.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.85 33.76 5.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.5 p -120.8 156.1 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 ' CG ' ' A' ' 51' ' ' GLU . 10.4 tt -61.1 -35.7 77.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' N ' ' CD1' ' A' ' 14' ' ' LEU . . . -53.81 -49.02 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 3.0 tm-20 -66.09 -21.73 66.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.24 -33.22 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' CG ' HD22 ' A' ' 47' ' ' LEU . 13.7 mm-40 -73.17 -7.51 51.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 106.81 -18.42 37.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.609 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -42.28 162.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.71 156.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 55.8 t -61.14 117.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.24 -39.84 1.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.17 167.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.565 ' CG ' ' CE1' ' A' ' 38' ' ' TYR . 67.0 tt0 -129.67 114.36 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 89' ' ' VAL . 19.5 mm -72.27 101.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.2 -54.0 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -124.41 164.03 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 4.9 p -142.68 112.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 73.13 -59.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.73 -44.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 154.95 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -102.83 144.72 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.9 mt -94.52 44.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.01 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 39.64 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.5 m -134.55 150.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.9 p -54.76 155.86 4.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.459 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.2 t-80 -57.68 -26.31 61.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.627 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.81 -28.48 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 11.3 mm-40 -71.26 -59.06 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.48 -49.69 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 57.5 t -57.43 -52.02 62.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.67 -21.15 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' CB ' HG12 ' A' ' 62' ' ' VAL . . . -90.7 -54.48 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 85' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -73.8 123.47 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 22.0 mt -115.1 121.38 42.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -97.65 99.81 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.489 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -111.6 140.0 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -94.58 141.55 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 157.4 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.1 mt -108.28 101.74 10.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 83.7 t -94.49 140.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 12' ' ' VAL . 5.7 m -128.26 116.6 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.9 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.95 -22.95 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.15 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.593 ' CE1' HD13 ' A' ' 23' ' ' LEU . 54.1 p90 -117.02 148.75 41.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 134.97 41.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 pt -100.42 164.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -154.68 164.67 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 -149.19 17.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.47 155.96 7.88 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -65.59 -24.88 67.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.07 -31.63 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -90.03 -13.76 35.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.632 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.75 63.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 177.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.72 -126.42 4.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.2 mm -129.25 150.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 85.4 m-85 -160.92 148.2 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 142.03 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -115.18 -37.64 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 6.9 tt -147.36 149.23 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' N ' HD22 ' A' ' 41' ' ' LEU . 4.0 t -136.64 120.77 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.56 139.46 96.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.01 163.22 35.75 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.7 29.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PRO . 55.2 p -101.94 174.15 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.9 tp -66.53 -45.31 79.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -51.09 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.43 -36.72 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -69.83 -33.89 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ALA . 32.4 mm-40 -71.28 -20.49 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.37 -19.55 9.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -46.28 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.56 138.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 23.3 t -46.82 109.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.01 -37.74 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.7 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 53.5 tt0 -136.42 115.28 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.404 ' CD1' HG11 ' A' ' 89' ' ' VAL . 6.1 mm -75.51 92.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.96 -53.88 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 14.4 mtm105 -124.21 161.45 25.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.1 p -142.75 113.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' ND2' HD11 ' A' ' 85' ' ' LEU . 0.9 OUTLIER 72.33 -60.38 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.23 -45.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.63 150.45 48.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.0 p -104.11 136.78 43.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.13 46.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.49 -70.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -142.33 91.07 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.3 m -139.17 153.08 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -55.57 161.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -60.49 -32.84 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.81 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 12.1 mm-40 -56.12 -63.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -45.03 -52.01 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' LEU . 60.9 t -54.55 -59.67 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.39 -24.36 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.73 -30.04 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 62' ' ' VAL . 3.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.408 HD11 ' ND2' ' A' ' 63' ' ' ASN . 6.3 tp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.69 105.43 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.2 mm? -79.17 130.21 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 61' ' ' ARG . 22.3 m -105.32 109.9 22.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.94 138.97 53.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 91' ' ' SER . 3.8 t80 -83.68 152.12 24.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 4.4 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 72.3 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -120.99 149.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -101.4 109.5 21.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 14' ' ' LEU . 38.9 t -94.09 146.62 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -128.91 123.53 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.79 -20.4 48.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CE2' HD13 ' A' ' 23' ' ' LEU . 6.4 p90 -119.58 138.24 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 1.8 t -89.12 171.72 9.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.56 170.71 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -157.64 174.8 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.53 -133.15 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.84 160.15 11.82 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -66.15 -30.06 70.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.82 -14.95 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -108.87 -10.45 15.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.14 26.72 39.48 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 m -128.51 166.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.7 -128.36 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.553 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.9 mm -133.28 142.12 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 20.3 m-85 -157.66 168.06 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG23 ' CD1' ' A' ' 25' ' ' PHE . 24.6 t -86.59 139.99 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.22 -21.31 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' VAL . 3.0 tp -152.46 145.79 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 2.6 t -135.81 129.43 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.61 140.32 86.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 159.16 41.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 37.11 33.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' PRO . 36.8 p -101.05 178.85 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.4 tp -70.75 -54.22 12.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -41.33 -63.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -48.83 -38.16 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -70.99 -32.6 69.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' CB ' HG13 ' A' ' 12' ' ' VAL . 28.5 mm-40 -73.31 -21.65 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.16 -26.44 5.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -40.59 154.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.7 140.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 t -45.3 100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.89 -24.0 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -143.29 110.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' A' ' 89' ' ' VAL . 10.9 mm -78.34 105.23 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 15.6 mt -84.08 -44.79 13.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -132.18 165.42 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 79' ' ' LEU . 9.8 p -139.03 113.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 72.1 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -158.6 -45.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -67.47 149.75 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.29 127.85 50.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 2.6 mt -57.98 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 55.21 59.59 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.04 104.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.2 m -148.77 146.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' GLU . 62.7 p -42.94 143.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.45 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 9.9 t-80 -49.14 -26.18 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.62 -38.96 53.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.9 mm-40 -60.98 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 67' ' ' LEU . . . -40.47 -49.76 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 94.7 t -55.53 -55.63 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -52.24 -22.02 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.31 -41.24 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' A' ' 62' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t -96.37 107.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -81.24 119.04 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -92.4 101.02 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -110.49 156.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.475 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 6.0 t80 -110.58 145.84 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.0 OUTLIER -95.68 165.1 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.0 mt -120.1 102.77 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 51' ' ' GLU . 51.7 t -94.71 144.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 12' ' ' VAL . 14.3 p -128.97 122.82 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.4 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.34 -21.86 26.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 15.7 p90 -123.31 135.21 54.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 158.69 16.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 4.6 pt -118.73 165.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 9.8 ptt180 -144.24 175.97 9.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.82 -136.87 14.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.11 145.86 8.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -46.38 -39.9 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -45.39 -44.9 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -26.25 39.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.582 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.94 21.17 12.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.15 172.46 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.15 -150.21 7.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.174 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mm -119.23 126.19 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 51.2 m-85 -140.56 167.4 22.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -73.26 136.72 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -45.56 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -143.21 153.15 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.69 118.09 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.3 145.97 99.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.11 23.2 1.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -94.48 166.13 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CG ' ' A' ' 51' ' ' GLU . 5.5 tt -64.24 -52.2 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 14' ' ' LEU . . . -39.72 -49.31 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.99 -43.32 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.5 mttm -58.79 -38.2 78.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.554 ' CG ' ' CD2' ' A' ' 47' ' ' LEU . 9.0 mm-40 -73.96 -8.0 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 104.5 -21.86 35.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.577 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -39.22 151.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.55 145.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -46.51 115.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.3 -44.21 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 77.6 m-20 -47.45 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.607 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 64.8 tt0 -133.84 109.42 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.441 ' CD1' HG13 ' A' ' 89' ' ' VAL . 12.1 mm -69.6 84.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 30.6 mt -65.33 -54.7 25.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 7.8 mtt85 -124.65 166.0 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 4.3 p -143.63 106.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.8 t-20 83.3 -51.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.9 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.16 137.72 55.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -92.51 122.49 34.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 19.3 mt -72.26 -65.38 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 67' ' ' LEU . . . 85.84 -45.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.57 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -155.24 -84.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 69' ' ' ARG . 6.1 m 52.51 163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.9 p -75.88 148.68 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.3 t-80 -46.27 -27.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.06 -41.64 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' THR . 44.6 mm-40 -60.24 -63.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.34 -48.29 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 85.2 t -60.66 -52.43 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -55.72 -21.24 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.92 -39.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 62' ' ' VAL . 10.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' CD2' HD12 ' A' ' 87' ' ' LEU . 26.5 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.87 101.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.5 mm? -78.11 119.08 21.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -93.6 108.28 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -123.36 138.31 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 5.9 t80 -97.09 118.65 33.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.446 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 42.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -108.49 150.61 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -142.67 112.27 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.048 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.79 84.64 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.45 -58.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -63.7 116.36 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 126.31 4.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.98 111.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.52 125.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.62 165.12 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -119.45 108.96 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 53' ' ' LEU . 73.7 t -102.18 140.65 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.436 ' N ' HG11 ' A' ' 12' ' ' VAL . 28.1 t -128.92 125.6 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.4 mm? -123.73 131.74 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 146.62 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.52 73.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' HIS . 4.9 tttp -176.33 113.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 67.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -115.94 -46.65 2.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.81 -48.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.43 -117.49 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -113.94 4.26 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.75 -19.8 48.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 17.2 p90 -127.52 136.16 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.47 153.29 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 37' ' ' ILE . 7.1 pt -112.39 167.16 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -150.42 168.32 24.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.92 -134.38 11.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.51 146.81 9.28 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -56.67 -22.71 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.42 -20.19 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 -8.83 16.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.17 2.21 64.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.34 166.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.72 -124.35 1.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.9 mm -131.9 144.82 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.2 m-85 -160.4 152.76 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 57' ' ' ASP . 76.5 t -66.05 130.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.97 -36.87 6.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 9.6 tt -145.03 143.48 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.72 117.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.97 140.35 96.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.97 166.17 29.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 30.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 13.8 p -101.09 177.09 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 tp -71.5 -51.87 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -48.45 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -50.78 -28.39 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.63 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.08 -17.58 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . 122.31 -27.56 6.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.607 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -39.82 153.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -170.94 147.46 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 5.2 t -53.57 102.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.85 40.18 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 3.6 m-20 -118.8 172.93 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 64.2 tt0 -132.41 109.0 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' A' ' 89' ' ' VAL . 15.9 mm -70.51 90.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 35.4 mt -68.4 -47.58 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -135.98 159.38 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.2 p -143.47 112.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t-20 79.78 -56.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -172.21 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.3 145.04 54.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -99.07 119.28 37.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 19.4 mt -68.1 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.89 -75.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -148.89 89.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.7 m -134.07 154.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -53.96 151.43 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.501 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.6 t-80 -53.6 -25.88 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.19 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -70.07 -56.51 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.38 -51.27 63.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 94.9 t -56.16 -52.06 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -53.58 -20.66 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.06 -34.73 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 23' ' ' LEU . 6.1 mt -83.86 -171.82 3.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 78.18 178.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.55 136.0 3.79 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.02 48.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mttp 58.34 177.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.453 ' CD2' HD13 ' A' ' 87' ' ' LEU . 37.2 tp -89.22 145.55 25.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.2 t -119.93 106.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -85.65 119.22 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.34 110.99 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -124.39 142.31 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 5.3 t80 -99.37 145.9 26.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -129.48 146.84 51.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.52 92.79 2.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.04 154.76 7.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.57 152.59 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -107.47 169.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.1 p -83.57 133.36 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.88 -143.88 15.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.96 5.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t -154.98 -48.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -111.8 -54.71 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 124.54 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.38 151.64 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.51 174.33 19.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -153.35 128.73 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 -69.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.39 -128.65 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.69 106.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.6 t -74.05 124.7 31.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' NH2' ' HA3' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -95.29 164.78 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.74 104.02 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 53' ' ' LEU . 74.3 t -94.6 145.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 12' ' ' VAL . 12.4 t -128.13 130.32 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' CD2' HG11 ' A' ' 12' ' ' VAL . 2.8 mm? -126.24 159.95 31.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 168.19 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 4.5 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.63 120.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HG3' ' CD2' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -177.07 57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 51.49 51.37 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -154.6 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.37 -60.02 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.599 ' O ' ' CE1' ' A' ' 20' ' ' HIS . . . -155.3 -149.36 5.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -39.82 -39.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.16 -0.45 22.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 30.4 p90 -139.11 133.94 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.65 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.453 HD11 ' CD1' ' A' ' 79' ' ' LEU . 1.8 pt -114.19 161.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -144.07 171.38 14.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 -153.83 17.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.27 138.12 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 t -58.65 -33.97 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -55.51 -36.0 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.99 -26.76 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.68 -7.88 27.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.03 172.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.22 -123.59 2.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 8.8 mm -131.22 145.65 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 79.7 m-85 -159.45 150.38 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.73 136.62 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -111.24 -35.55 5.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.1 tm? -148.93 148.31 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -136.47 123.26 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.46 141.46 95.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 158.94 42.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.28 33.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.2 p -103.76 172.81 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.5 tp -67.2 -52.27 43.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -42.8 -59.26 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.83 -40.15 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -62.93 -35.24 79.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' LEU . 19.7 mm-40 -68.01 -24.63 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 125.5 -17.39 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.582 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -45.94 158.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.28 132.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.2 t -45.06 117.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.95 -32.43 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 64.4 tt0 -142.56 113.4 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CD1' HG12 ' A' ' 89' ' ' VAL . 16.4 mm -69.6 93.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 26.3 mt -72.7 -52.03 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 32.5 mtt180 -131.8 163.26 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -143.54 113.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 4.3 t-20 79.61 -62.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -163.87 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.7 161.84 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.7 p -109.81 138.88 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 47.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 99.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 39.79 82.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.6 m -132.45 149.93 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.7 p -56.77 160.77 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.2 t-80 -60.61 -29.74 69.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.3 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 42.1 mm-40 -67.27 -57.52 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -52.93 -50.5 63.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 88.6 t -53.75 -57.01 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -51.9 -22.06 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' CB ' HG13 ' A' ' 62' ' ' VAL . . . -88.08 -46.23 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 27' ' ' ILE . 7.5 mt -72.69 77.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.48 164.54 27.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.87 82.56 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' LYS . 3.1 p -108.68 166.66 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -44.71 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 52.3 99.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 3.4 tp -84.77 110.14 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.69 103.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -78.41 122.39 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -97.7 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -120.74 146.98 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 7.1 t80 -103.74 114.55 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 t -91.99 137.28 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -132.78 171.89 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.85 137.03 9.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.25 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.9 112.67 35.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.1 p -115.41 163.33 15.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 74.85 150.79 2.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.62 14.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 m -141.64 119.24 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -90.96 134.56 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 91.69 3.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.46 147.94 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.13 105.9 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -148.59 121.34 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -130.44 156.01 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.5 -118.73 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -175.63 134.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.3 t -87.29 129.76 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' CG ' HG22 ' A' ' 89' ' ' VAL . 2.2 ptt180 -94.59 169.79 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -126.07 101.07 6.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 69.5 t -95.9 143.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.415 ' N ' HG11 ' A' ' 12' ' ' VAL . 5.1 t -128.78 115.11 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.7 mm? -115.5 132.56 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -109.53 171.53 7.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -115.17 39.4 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.11 84.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -163.69 40.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 82.57 -58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.03 95.82 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.583 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.94 121.16 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.97 153.76 6.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.587 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -60.64 -31.29 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.48 7.59 56.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 8.3 p90 -143.99 131.64 21.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 165.63 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.37 167.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' TYR . 10.4 ptt180 -155.29 166.2 34.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.61 -151.9 18.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.35 148.16 5.6 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -63.4 -28.12 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.45 -28.78 69.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -12.35 32.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.64 82.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.11 165.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.78 -126.41 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.494 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 7.4 mm -132.84 146.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 33.2 m-85 -160.11 161.2 33.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG2' ' OD1' ' A' ' 57' ' ' ASP . 44.8 t -74.5 137.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.5 p -106.84 -26.69 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.3 tm? -153.29 148.52 26.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' N ' HD11 ' A' ' 41' ' ' LEU . 3.0 t -136.68 119.56 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.96 142.34 97.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.97 163.51 35.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.09 30.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.423 1.077 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 2.2 p -99.52 174.13 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' GLU . 8.4 tp -68.48 -55.28 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -43.9 -65.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -27.89 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -79.52 -30.45 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 12' ' ' VAL . 12.9 mm-40 -77.49 -17.06 58.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.05 7.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.31 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' CD ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 171.78 145.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.4 t -50.41 113.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.23 -26.7 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' OD1' ' CG2' ' A' ' 39' ' ' VAL . 7.3 p-10 -56.28 170.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -128.96 113.31 15.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.5 mm -77.44 90.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 24.0 mt -67.05 -62.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 14.5 mtp180 -121.37 168.21 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.6 113.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.423 ' N ' HD11 ' A' ' 85' ' ' LEU . 1.8 t-20 71.16 -63.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -157.38 -45.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 150.74 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -105.66 129.46 53.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.48 47.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.97 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 89.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.4 m -136.01 158.47 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -66.75 159.22 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.444 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.4 t-80 -53.21 -33.13 51.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -51.67 45.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.6 mm-40 -52.43 -52.5 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.451 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -53.65 -53.36 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 94.5 t -55.51 -57.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -52.72 -21.73 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.83 -39.92 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.32 -80.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 56.26 -170.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.47 87.31 0.36 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.417 ' C ' ' N ' ' A' ' 84' ' ' LYS . 2.2 m -86.1 159.82 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -27.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 82' ' ' SER . 4.8 ttpt -168.94 93.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 87' ' ' LEU . 15.8 tp -88.2 143.46 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 t -111.04 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 85' ' ' LEU . 1.5 mm? -78.87 118.87 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.2 m -96.36 106.79 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG22 ' CG ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -125.03 149.55 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 2.8 t80 -98.56 109.49 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 t -86.71 142.57 28.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -152.69 171.43 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.86 78.0 0.11 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 63.76 163.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 tp -92.35 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 p -45.43 -60.3 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -147.39 157.51 27.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.03 113.22 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 t -76.91 94.54 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -163.04 170.53 17.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -120.61 -61.08 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.24 -162.65 27.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -179.12 163.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 110.009 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.96 155.19 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.31 122.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' SER . 5.7 tp10 -159.99 129.31 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.5 t -77.46 131.3 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.2 ptp180 -103.03 169.74 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.31 102.01 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 14' ' ' LEU . 70.7 t -94.79 141.14 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 p -128.84 121.47 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HG11 ' A' ' 12' ' ' VAL . 4.4 mm? -113.77 128.22 56.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -84.97 166.48 16.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -48.09 154.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -166.31 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -110.67 -28.74 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 81.33 -73.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 13.9 p-80 -73.71 83.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 51.59 98.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.03 80.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -108.86 23.41 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.37 45.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 9.9 p90 -129.91 130.89 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.84 164.2 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.02 158.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 0.5 OUTLIER -146.66 171.86 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.18 -154.94 18.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.68 135.58 3.92 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.61 -28.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.66 -59.51 3.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -19.55 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.71 42.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.25 171.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.9 -125.95 1.74 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 12.4 mm -131.08 145.55 35.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 79.8 m-85 -157.93 151.55 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.31 136.05 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 p -113.81 -30.89 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.5 tm? -146.69 148.21 31.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.413 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.8 t -136.53 120.36 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.91 137.9 94.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.95 160.74 39.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.43 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.6 p -100.78 176.87 5.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' CD2' ' CG ' ' A' ' 51' ' ' GLU . 7.8 tt -67.71 -51.43 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -44.12 -68.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.87 -22.79 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -33.03 39.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' CG ' ' CD2' ' A' ' 47' ' ' LEU . 17.6 mm-40 -78.45 -11.51 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.31 -18.85 20.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.518 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -44.89 160.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.76 155.47 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 42' ' ' VAL . 72.2 t -64.11 118.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.94 -26.48 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.43 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 67.1 tt0 -138.51 110.15 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.437 HD12 ' CG1' ' A' ' 89' ' ' VAL . 12.7 mm -73.8 83.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 30.0 mt -60.13 -60.94 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.1 mtm180 -112.89 162.85 15.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 79' ' ' LEU . 1.8 p -140.83 113.85 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 70.23 -62.99 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -157.42 -45.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -67.27 157.49 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.3 p -111.13 123.57 50.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -83.68 50.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.56 -58.51 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -142.91 80.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 29.6 m -136.14 154.13 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -60.15 176.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.407 ' NE2' ' HA ' ' A' ' 28' ' ' ARG . 12.2 t-80 -71.51 -35.11 70.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.26 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.5 mm-40 -56.11 -59.36 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.01 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 90.7 t -58.44 -60.15 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -20.87 28.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -85.5 -24.79 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 62' ' ' VAL . 7.7 mt -72.21 -62.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 174.52 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 65.55 2.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.43 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -76.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -82.21 98.91 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 86' ' ' VAL . 3.7 tp -93.85 113.09 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 85' ' ' LEU . 42.7 t -98.2 101.13 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HG ' ' CZ ' ' A' ' 25' ' ' PHE . 1.5 mm? -74.03 121.36 20.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -95.42 104.66 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.58 147.8 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' A' ' 91' ' ' SER . 2.3 t80 -101.69 126.25 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 8.6 t -77.4 138.51 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 90' ' ' TYR . . . -151.78 164.06 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.32 77.26 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -58.5 -38.87 78.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.1 tt -135.34 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.84 120.72 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.23 177.48 38.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.04 37.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -172.61 51.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -41.82 132.8 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.06 123.85 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m 59.84 162.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.09 76.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.46 165.84 30.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.8 123.38 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.31 -136.52 8.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.565 1.165 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -171.31 128.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 60' ' ' LEU . 50.7 t -123.77 132.3 71.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.8 ptp180 -94.37 168.33 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -122.47 104.87 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG11 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -97.69 144.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.411 ' N ' HG12 ' A' ' 12' ' ' VAL . 1.5 m -127.99 124.9 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD2' HG11 ' A' ' 12' ' ' VAL . 4.3 mm? -126.13 136.28 52.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -126.2 143.54 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -91.3 87.23 6.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . 167.96 56.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -160.62 38.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 80.59 38.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -173.23 135.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.73 98.76 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 131.85 47.86 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.601 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER 69.09 -62.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 126.26 -0.02 7.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 29.4 p90 -137.07 135.05 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.86 157.5 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 pt -128.1 165.35 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -149.64 174.63 12.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.09 -157.87 14.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.5 146.42 4.63 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.4 t -65.52 -12.1 49.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.42 -23.32 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.76 0.4 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.45 6.8 88.08 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 164.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.68 -124.81 0.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -133.05 149.91 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 70.7 m-85 -161.02 154.34 21.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -64.17 140.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -42.5 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 1.3 tm? -146.99 150.71 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -136.57 121.81 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.08 140.2 95.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -75.01 166.64 28.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 31.31 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' PRO . 26.2 p -104.29 178.15 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 tp -73.4 -42.36 62.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -51.51 -67.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.02 -26.24 5.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 47' ' ' LEU . 33.0 mm-40 -75.81 -17.08 59.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.82 -22.52 9.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.591 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -44.52 160.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.08 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 79.0 t -51.5 119.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.7 -40.34 1.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.4 170.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 65.7 tt0 -127.77 105.99 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' CD1' HG11 ' A' ' 89' ' ' VAL . 19.8 mm -67.14 79.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 9' ' ' VAL . 46.4 mt -60.32 -59.56 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 54.8 mtm180 -119.7 166.11 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.5 p -143.43 116.44 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.49 -61.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.43 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -67.55 156.35 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -106.16 131.75 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.9 mt -92.85 46.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.84 -77.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -132.79 88.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.8 m -135.9 150.67 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.4 p -58.98 156.54 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.48 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 13.1 t-80 -55.02 -30.5 59.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.06 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -61.65 -55.45 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -54.28 -47.03 72.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 86.9 t -63.5 -39.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -66.1 -17.68 64.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.65 -25.98 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 75' ' ' ALA . 4.2 mt -78.51 55.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.04 -174.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 47.72 -168.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.97 95.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.43 153.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tttt 57.73 88.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 87' ' ' LEU . 2.0 tp -92.57 103.02 15.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.5 105.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -79.61 128.26 33.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.3 m -103.11 101.69 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -113.63 150.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -77.5 124.48 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' GLU . 54.4 p -105.28 141.15 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.85 -177.49 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.54 -87.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 129.74 25.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.77 155.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.77 113.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.39 -155.22 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.83 12.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.53 -171.14 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -148.91 -52.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 132.72 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -159.3 152.38 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.74 148.19 19.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.55 99.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 66.66 117.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.04 116.75 1.08 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -149.87 129.91 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.25 125.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' NH2' ' HA3' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -97.26 167.28 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.51 106.9 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 86.0 t -96.84 143.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 12' ' ' VAL . 23.3 t -127.94 123.31 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.6 mm? -124.13 115.26 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -118.19 120.59 38.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 165.91 128.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.22 119.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 -52.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.47 56.84 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 176.53 157.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.08 87.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.19 160.52 10.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.16 20.38 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.2 -17.82 54.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 15.7 p90 -129.68 130.19 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.62 151.75 21.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -117.28 159.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -141.91 171.76 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.42 -154.31 20.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.53 172.05 12.83 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -88.97 43.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.57 -37.65 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -12.64 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.25 43.26 3.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.93 -178.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.81 -130.13 6.86 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 12.7 mm -130.47 144.15 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 64.6 m-85 -157.26 152.13 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.27 137.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -39.45 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.052 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 tt -149.55 141.2 23.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -136.68 119.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 135.1 89.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -21.13 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.28 30.13 8.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 p -113.01 -179.89 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.2 tp -80.4 -46.55 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.94 -52.82 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.39 -32.86 69.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.7 mttt -73.69 -27.98 61.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -77.24 -18.78 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 119.93 -24.53 7.86 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -40.8 159.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 0.731 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.94 138.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.1 t -42.9 119.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.43 -36.51 2.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -52.2 -177.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' HG2' ' CD2' ' A' ' 60' ' ' LEU . 58.4 tt0 -141.78 112.28 7.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 HD11 ' CG1' ' A' ' 89' ' ' VAL . 14.7 mm -70.67 89.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 18.3 mt -70.19 -43.88 69.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.2 mtt180 -138.62 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 67' ' ' LEU . 5.1 p -143.6 115.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 75.39 -59.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.31 -44.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -71.9 150.27 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 p -94.47 145.3 24.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD2' HG11 ' A' ' 62' ' ' VAL . 8.9 mt -90.94 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' ARG . . . -50.09 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER 39.1 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -137.43 143.98 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 p -49.27 147.4 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.4 t-80 -49.95 -30.99 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.05 -35.19 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 41.4 mm-40 -66.45 -56.02 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.32 -53.98 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 61.6 t -55.1 -53.45 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -53.47 -21.62 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.17 -40.38 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' CD2' HG22 ' A' ' 62' ' ' VAL . 13.7 mt -61.75 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 48.58 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.77 79.03 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.46 179.49 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -82.46 -61.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 71.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 87' ' ' LEU . 2.2 tp -93.91 111.87 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -101.85 102.17 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -77.12 121.15 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 19.7 m -94.85 112.06 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' CG1' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.16 157.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 15.3 t80 -119.47 128.93 54.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t -106.79 159.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.08 158.68 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.55 107.3 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 133.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.97 140.03 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -150.07 -59.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 83.06 177.83 52.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.83 23.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.78 -58.42 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.42 144.79 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 70.58 -61.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 1' ' ' GLY . 61.1 m -45.49 140.98 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.73 88.85 0.49 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 164.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.019 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -140.17 112.79 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.13 118.24 3.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -134.89 84.7 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 0.805 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.61 125.18 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -94.82 164.7 12.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.34 105.13 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG13 ' CD2' ' A' ' 14' ' ' LEU . 65.7 t -95.06 144.98 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 12' ' ' VAL . 13.5 p -128.57 123.28 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 12' ' ' VAL . 4.1 mm? -121.86 111.96 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -133.57 111.8 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 1.2 mtt180 163.87 86.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.24 131.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.44 -47.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.2 29.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.4 138.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.91 150.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.56 -134.5 5.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -64.85 -34.17 77.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.29 -7.22 28.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 23' ' ' LEU . 20.1 p90 -131.01 133.93 46.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 154.28 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pt -118.44 165.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -148.25 158.99 44.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.13 -153.37 17.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.1 145.66 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -60.25 -32.55 71.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.89 -17.85 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.27 -25.06 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.83 7.92 49.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.17 163.61 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.83 -131.34 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 5.7 mm -130.46 148.49 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 41.5 m-85 -162.42 156.85 21.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -82.1 132.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 p -115.88 -13.08 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -153.58 141.48 20.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -137.0 125.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 128.59 93.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.42 37.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.33 23.42 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -105.07 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -71.14 -53.44 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -43.11 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -49.49 -33.23 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.57 -32.56 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CB ' HG11 ' A' ' 12' ' ' VAL . 19.3 mm-40 -72.59 -18.64 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.03 -11.19 22.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -53.58 166.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER 166.64 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -38.91 144.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 55' ' ' VAL . . . 108.66 -32.98 6.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CG ' ' NH2' ' A' ' 10' ' ' ARG . 22.0 m-20 -57.91 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -138.81 110.85 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.444 ' CD1' HG12 ' A' ' 89' ' ' VAL . 16.9 mm -71.65 78.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 36.7 mt -54.17 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.2 mtt180 -117.03 166.89 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 8.8 p -143.32 111.34 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 75.51 -58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -166.08 -46.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.37 157.39 37.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.4 p -103.86 143.44 32.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 69' ' ' ARG . 4.9 mt -87.65 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 90.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' LEU . 46.3 mtt180 42.69 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.3 m -136.41 150.47 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.4 p -57.7 150.88 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.9 t-80 -51.11 -29.7 14.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.4 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -66.08 -56.88 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -50.28 -51.2 46.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 84.3 t -56.16 -61.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -21.97 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -84.83 -30.69 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 75' ' ' ALA . 4.4 mt -68.02 -54.49 18.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -76.33 164.24 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.15 146.27 11.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.51 114.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -55.32 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.6 tttt 40.79 84.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD1' HD13 ' A' ' 87' ' ' LEU . 1.7 tp -92.9 105.53 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -96.32 109.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.56 121.15 27.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 1.9 m -97.61 106.75 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -121.24 142.63 36.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 3.6 t80 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.2 t -101.79 148.22 25.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.46 164.85 20.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.31 103.08 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -48.95 122.36 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 tt -59.07 -35.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.0 t 179.96 133.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.42 158.92 17.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.81 20.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.71 124.04 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 135.9 49.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.27 157.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -42.81 152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.98 -79.96 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -92.76 165.47 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -115.79 167.93 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.36 124.91 2.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 94' ' ' ARG . 3.4 mt-10 -151.19 90.27 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.86 124.48 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.0 163.09 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.02 106.41 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 69.4 t -94.53 142.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' HG13 ' A' ' 12' ' ' VAL . 11.5 p -128.75 120.15 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.8 mm? -118.19 148.83 41.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.55 114.0 22.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' NE ' ' HB2' ' A' ' 80' ' ' LYS . 2.9 tmm_? -86.85 67.81 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 178.55 64.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 6.1 mttt -147.35 -80.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 162.25 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ALA . 52.2 m80 -37.6 138.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.603 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLY . 6.9 mt-10 -48.43 107.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 24' ' ' GLY . . . 36.14 85.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER 48.81 22.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 22' ' ' GLY . . . 86.76 -30.07 4.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.612 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.9 p90 -117.88 126.72 52.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.24 160.83 16.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 pt -122.1 163.13 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 18.6 ptt85 -146.95 175.71 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -139.2 16.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.05 155.35 12.79 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 70' ' ' VAL . 2.0 t -47.28 -24.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.1 -46.1 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 1.57 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.34 77.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.92 163.6 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.32 -132.41 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.9 mm -131.26 134.3 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 69.3 m-85 -144.83 153.6 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.24 138.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.7 t -110.34 -39.66 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.1 tm? -144.71 149.76 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.0 t -136.66 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.96 139.35 95.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.04 163.24 35.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.8 31.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PRO . 17.7 p -101.25 177.59 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.95 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.32 -49.86 38.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -48.99 -66.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.5 -32.9 13.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -71.31 -31.91 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ALA . 13.5 mm-40 -72.47 -21.05 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.99 -18.57 8.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -48.58 163.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER 168.22 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ARG . 79.1 t -40.49 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.5 -44.08 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.74 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 66.0 tt0 -138.53 111.98 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' A' ' 89' ' ' VAL . 14.0 mm -68.41 85.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 23.0 mt -64.45 -56.46 14.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 66.2 mtt180 -123.13 164.66 18.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 79' ' ' LEU . 5.4 p -143.42 107.67 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER 77.62 -57.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -167.19 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 141.94 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.0 p -92.85 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' ALA . 9.6 mt -90.28 48.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -40.56 -72.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -143.63 81.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 25.7 m -126.5 151.38 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -64.68 159.14 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.481 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.8 t-80 -55.73 -31.83 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.79 -32.04 71.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -71.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.84 -45.19 20.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 95.5 t -62.45 -54.64 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.31 -19.92 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -87.32 -42.58 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD21 ' CG2' ' A' ' 62' ' ' VAL . 2.6 mt -43.63 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HB2' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.63 -171.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.9 -71.37 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -178.64 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -80.42 -99.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 111.78 2.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 62' ' ' VAL . 2.0 tp -97.83 108.39 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 ' N ' HD11 ' A' ' 85' ' ' LEU . 54.2 t -96.13 107.73 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' HG ' ' CE2' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -80.07 121.8 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -95.96 105.15 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -116.35 153.29 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.465 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 8.9 t80 -122.69 116.7 24.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 t -91.3 159.88 15.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.75 68.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.16 101.74 2.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -60.23 169.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -128.2 170.35 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -104.62 -63.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.45 159.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.24 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -59.24 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.9 p -96.31 138.85 33.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -159.48 131.19 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.33 138.16 38.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.49 158.49 7.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.59 133.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 143.31 40.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.14 -129.86 1.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -167.12 90.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.13 128.08 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.9 ptt180 -94.49 169.68 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.0 mt -125.09 103.09 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 14' ' ' LEU . 54.5 t -96.42 144.44 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 p -129.2 120.0 25.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HG11 ' A' ' 12' ' ' VAL . 3.8 mm? -115.12 111.7 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.34 171.88 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' ND1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER 56.82 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' CB ' ' HA2' ' A' ' 81' ' ' GLY . . . -126.95 64.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -49.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.77 43.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 16' ' ' ARG . 56.2 m80 -127.81 43.05 3.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.33 36.42 16.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 23' ' ' LEU . . . 45.63 92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER 69.34 -57.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.89 -8.09 4.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 40.8 p90 -131.64 143.47 50.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.62 143.22 28.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 pt -105.64 168.29 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.57 175.84 13.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.67 -143.48 16.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.23 157.42 9.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -63.67 -28.87 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.35 -43.14 74.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -15.93 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 -3.16 59.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.36 164.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.16 -125.44 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.471 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 17.0 mm -129.86 142.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 61.3 m-85 -159.86 152.98 21.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' ' OD1' ' A' ' 57' ' ' ASP . 45.7 t -75.64 136.71 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.4 p -111.13 -19.47 12.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 55' ' ' VAL . 9.0 tt -153.24 148.73 27.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 39' ' ' VAL . 3.2 t -136.63 117.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.02 136.96 94.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 166.6 28.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.5 30.93 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.8 p -105.79 177.57 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.4 tp -70.0 -55.21 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -43.21 -62.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.25 -26.56 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -77.11 -33.32 56.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' CB ' HG12 ' A' ' 12' ' ' VAL . 9.5 mm-40 -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.62 -18.18 15.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -40.84 155.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 140.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 41' ' ' LEU . 32.8 t -46.26 112.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.06 -28.84 2.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' OD1' ' CG2' ' A' ' 39' ' ' VAL . 3.7 p-10 -49.75 172.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.442 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 57.0 tt0 -137.68 112.69 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 mm -75.88 99.16 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 15.4 mt -80.88 -44.33 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 75.7 mtt180 -133.65 165.62 24.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.7 p -143.49 117.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 71.0 -60.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.63 -45.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -68.93 157.27 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -102.57 148.99 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 12.3 mt -94.09 43.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.66 96.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 42.69 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.77 136.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.5 p -47.77 156.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.496 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.0 t-80 -56.83 -31.03 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.58 69.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.21 -62.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.227 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 67' ' ' LEU . . . -45.28 -45.72 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 88.8 t -57.35 -53.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.84 -20.95 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.58 -48.6 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.07 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 47.42 -162.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.472 ' HA2' ' CB ' ' A' ' 17' ' ' ALA . . . -114.56 49.76 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 158.33 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -86.04 133.74 33.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.4 tttp 57.81 62.5 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.7 tp -85.84 136.82 33.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.0 t -109.14 106.17 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -83.99 119.63 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 2.5 m -93.87 110.55 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.438 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -126.23 146.24 32.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 4.5 t80 -98.81 122.12 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t -99.68 156.13 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.11 115.4 23.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.58 4.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.74 169.14 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.61 159.06 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 p -88.37 161.07 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.82 143.89 16.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.58 9.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 t -130.09 154.26 47.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 t 64.23 148.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -106.02 -59.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.68 151.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.14 122.28 1.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -149.91 -60.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -60.06 160.88 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.37 -119.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -143.76 79.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.08 125.66 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 163.85 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -120.5 108.46 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.55 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 76.8 t -102.23 141.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 12' ' ' VAL . 2.5 m -127.41 112.38 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.1 mm? -108.89 123.3 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.35 171.71 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 67.24 124.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.03 -168.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -175.01 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 162.31 -29.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 4.4 p-80 -87.11 103.16 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.51 -68.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 89.43 150.57 23.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER 74.41 -53.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.95 -4.05 6.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 41.9 p90 -130.95 138.12 49.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 142.83 27.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.8 pt -107.8 165.44 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -147.86 176.2 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.641 ' N ' ' HE ' ' A' ' 28' ' ' ARG . . . 90.53 -146.95 18.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.39 155.02 8.35 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -61.64 -33.41 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.57 -26.07 67.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -93.28 -21.69 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.92 -2.45 44.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.53 168.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.57 -121.89 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.593 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 5.5 mm -132.35 147.42 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 54.0 m-85 -162.25 155.39 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -82.08 131.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -116.84 -13.02 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.3 tm? -153.74 141.82 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 54' ' ' ARG . 2.7 t -137.08 126.08 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.01 137.6 94.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.67 30.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.4 p -104.66 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.9 tp -67.82 -50.55 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.03 -65.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.58 -41.76 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -62.78 -33.22 74.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 69.7 mm-40 -72.23 -16.45 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 -13.54 24.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -50.31 165.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 1.6 mtt180 166.82 134.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -39.16 145.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.431 ' N ' HG21 ' A' ' 55' ' ' VAL . . . 107.67 -30.75 8.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.74 179.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.441 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 63.4 tt0 -135.53 109.11 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 mm -68.54 80.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 46.7 mt -57.13 -60.59 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -125.12 162.42 24.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 9.8 p -143.51 114.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 5.0 t-20 81.68 -58.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -72.74 163.28 28.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 m -105.91 140.47 38.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.9 mt -97.84 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.25 116.37 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.62 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 24.0 m -144.45 145.59 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.0 p -57.7 147.32 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.48 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.0 t-80 -48.51 -28.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.607 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.03 -40.01 71.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 22.6 mm-40 -59.05 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -49.67 -50.86 41.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 99.6 t -55.85 -53.2 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -52.71 -21.47 4.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.74 -34.89 12.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 62' ' ' VAL . 2.1 mt -86.45 47.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -78.51 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 167.05 177.4 38.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.54 -178.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -43.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.72 107.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.99 118.62 21.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 t -94.45 106.31 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.525 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -90.61 119.45 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.37 110.58 23.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.12 141.87 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 91' ' ' SER . 9.4 t80 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.588 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 42.7 p -106.35 149.55 26.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -163.73 68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.82 146.87 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -93.54 142.87 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.52 123.85 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -57.71 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.95 151.82 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 m -119.92 -60.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.71 127.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.27 119.23 38.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -174.29 102.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.54 129.91 2.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.47 165.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.83 136.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.4 98.54 2.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -134.64 118.61 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 6.8 t -115.8 161.83 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -141.44 145.34 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -97.26 102.5 14.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 51' ' ' GLU . 50.8 t -94.02 148.02 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.38 126.37 40.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 12' ' ' VAL . 3.5 mm? -117.45 167.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 157.85 35.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -50.77 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.52 142.33 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.68 50.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 50.09 40.47 21.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 6.6 p-80 -121.66 -48.13 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 20' ' ' HIS . 3.3 mt-10 -135.44 -61.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 92.54 58.24 1.37 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.584 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER 68.79 -61.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 135.25 -9.05 4.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -129.1 132.72 47.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.67 141.24 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.71 160.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 3.6 ptt180 -145.79 175.34 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.29 -152.21 17.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.5 141.42 4.45 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 p -58.64 -24.68 61.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -57.06 -36.42 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -19.47 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.96 -2.99 41.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -107.46 151.35 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.37 -122.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.8 mm -132.95 148.99 31.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 82.5 m-85 -158.18 163.83 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.21 139.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.8 p -115.86 -35.85 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.3 tm? -143.85 146.5 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -136.67 123.01 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.14 140.51 95.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 158.29 42.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.92 30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 9.0 p -96.46 -175.86 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -73.74 -54.39 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.92 -38.14 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -34.94 79.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' CB ' HG11 ' A' ' 12' ' ' VAL . 69.3 mm-40 -73.96 -24.61 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.4 -22.55 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -41.96 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 172.71 133.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -40.23 119.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.34 -37.91 1.9 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.15 -179.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.559 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 65.9 tt0 -138.57 116.31 11.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CD1' HG13 ' A' ' 89' ' ' VAL . 15.1 mm -74.2 94.95 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.3 mt -71.16 -52.05 21.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -122.52 164.61 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.527 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -142.48 111.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.24 -63.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' VAL . 48.0 t0 -155.26 -46.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.33 155.02 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.6 p -109.53 130.16 55.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -87.77 47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.12 22.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.54 77.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 31.5 m -132.42 154.68 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.8 p -64.07 166.16 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.418 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 5.9 t-160 -63.09 -29.28 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.94 71.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 30.2 mm-40 -64.27 -65.32 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.54 -50.85 9.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 60.1 t -57.93 -56.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -57.04 -21.28 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -90.25 -21.93 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 62' ' ' VAL . 9.7 mt -70.81 -50.83 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -70.85 163.72 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.77 -171.55 49.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.04 173.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 -78.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 124.05 43.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 87' ' ' LEU . 1.1 tp -95.38 109.61 21.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.4 t -97.15 109.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.2 119.78 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.2 m -101.94 100.0 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.32 150.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -106.26 117.44 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t -125.53 124.53 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -100.79 168.13 9.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.91 -106.64 0.65 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.15 165.93 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -110.9 162.37 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.69 164.34 27.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 177.88 115.67 0.45 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.46 42.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.0 130.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.76 81.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -123.8 97.77 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -164.0 168.01 19.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.99 -166.4 11.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -148.9 145.23 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 110.016 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -103.38 152.63 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.86 121.42 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -153.36 129.48 10.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -76.81 126.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' CG ' HG21 ' A' ' 89' ' ' VAL . 5.6 ptp180 -97.08 169.72 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.2 mt -125.03 101.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 14' ' ' LEU . 62.4 t -95.51 143.62 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.83 119.48 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 110.041 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? -117.64 113.77 22.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -99.87 165.03 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -101.9 170.87 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 174.77 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -173.37 48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLU . . . -109.24 86.44 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -62.0 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.554 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 2.0 mm-40 -175.49 -62.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 125.17 94.35 0.99 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD13 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER 69.54 -56.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 134.77 -8.01 4.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.9 p90 -132.72 133.59 43.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.54 139.75 30.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.84 158.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -142.08 170.8 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.83 -158.55 16.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.3 135.39 3.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 p -42.07 -35.41 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -56.74 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -22.14 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -4.21 39.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.8 m -105.27 172.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.57 -128.1 2.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -129.72 145.38 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.7 m-85 -159.02 153.93 24.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG1' HG21 ' A' ' 42' ' ' VAL . 61.4 t -70.59 134.34 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -111.88 -28.97 7.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 3.2 tm? -152.63 141.03 20.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.78 118.88 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 132.0 91.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.81 16.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 30.34 9.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.2 p -114.52 177.94 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 3.8 tp -77.76 -52.2 9.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.4 -59.86 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.9 -44.02 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -69.78 -29.73 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CB ' HG13 ' A' ' 12' ' ' VAL . 8.3 mm-40 -72.02 -22.31 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.0 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -40.5 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.38 141.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.9 t -44.83 120.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.63 -42.62 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -48.69 175.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 65.7 tt0 -137.88 116.1 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 89' ' ' VAL . 16.2 mm -69.63 85.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 27.9 mt -64.57 -44.18 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.4 mtm180 -137.27 168.6 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 79' ' ' LEU . 7.4 p -143.25 111.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.51 -62.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -158.26 -46.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -68.92 144.09 54.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 p -97.7 141.56 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.59 44.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.14 -58.65 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.82 88.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.4 m -136.12 145.71 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -54.66 157.13 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -53.92 -37.62 64.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.01 -53.13 36.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.5 t -56.24 -55.06 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -55.57 -22.91 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.98 -44.32 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 62' ' ' VAL . 10.8 mt -56.93 -44.59 82.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -44.09 -43.64 7.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 40.25 -151.75 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -136.41 -76.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -167.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -40.04 124.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 87' ' ' LEU . 2.5 tp -86.22 106.02 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.97 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -78.41 123.84 27.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.5 m -100.26 100.97 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -116.52 154.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.466 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 4.4 t80 -109.14 118.66 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -90.54 158.84 16.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.8 106.95 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.26 -97.42 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.5 138.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.7 tt -119.7 -46.9 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.33 148.93 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -137.54 -96.16 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.18 23.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.49 122.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.8 t -172.48 119.26 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.22 87.67 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -143.42 152.38 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.07 178.52 25.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.0 168.4 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 p -55.86 166.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.48 -131.04 0.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -174.52 54.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.237 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 60' ' ' LEU . 1.4 m -73.1 163.51 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -127.27 147.89 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.23 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG13 ' CD2' ' A' ' 14' ' ' LEU . 48.6 t -93.95 147.68 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -128.42 128.49 44.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' HG13 ' A' ' 12' ' ' VAL . 4.2 mm? -129.36 112.67 14.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.28 159.58 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.42 91.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.39 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.85 101.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -58.72 7.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -69.77 64.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 63.59 137.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.18 96.68 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -109.71 23.83 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.0 -27.33 9.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 15.9 p90 -119.54 134.89 55.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 158.1 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 79' ' ' LEU . 10.5 pt -118.17 168.3 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -151.51 172.99 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.4 -134.53 13.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.69 174.4 19.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -63.29 -21.06 66.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.05 -25.54 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.69 -5.04 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.74 -2.72 87.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -104.94 -175.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.96 -126.51 4.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 27' ' ' ILE . 9.2 mm -131.76 120.2 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 77.4 m-85 -131.52 143.39 50.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.09 137.23 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.9 p -114.24 -42.37 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 7.7 tt -138.3 149.31 45.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.414 HG21 ' N ' ' A' ' 55' ' ' VAL . 9.7 t -136.58 119.51 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.94 139.41 95.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.1 Cg_endo -74.98 165.99 30.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.16 29.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.9 p -99.43 170.55 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.0 tp -70.63 -48.53 54.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.02 -56.0 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.36 -34.05 68.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -73.02 -32.31 65.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' CB ' HG11 ' A' ' 12' ' ' VAL . 44.4 mm-40 -70.12 -21.59 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.74 -21.49 5.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.549 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -44.4 166.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.61 137.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 38.1 t -44.07 110.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.43 -40.48 1.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -53.98 172.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 44.8 tt0 -136.49 118.52 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' CD1' HG11 ' A' ' 89' ' ' VAL . 15.7 mm -71.84 109.92 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -92.76 -29.62 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -149.21 158.59 44.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 6.3 p -143.55 110.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 81.71 -57.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -168.84 -46.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -67.9 160.13 29.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.8 p -106.33 139.88 40.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.13 43.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.74 -60.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -153.39 93.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.8 m -136.31 154.29 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.7 p -60.56 145.05 50.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.3 t-80 -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -50.56 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 24.0 mm-40 -49.29 -61.37 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.8 -54.33 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 98.5 t -52.84 -57.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.31 -23.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -89.7 -48.09 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD2' HG21 ' A' ' 62' ' ' VAL . 7.5 mt -53.39 -27.26 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 149.82 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.04 156.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.88 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 42.84 81.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt 62.93 134.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 87' ' ' LEU . 28.3 tp -127.83 136.02 50.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.82 109.73 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -83.69 119.46 24.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -98.83 104.07 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -115.28 139.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.446 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 5.7 t80 -92.82 124.53 36.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 10' ' ' ARG . 60.6 p -94.7 149.29 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.52 92.63 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.49 172.49 27.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.15 143.61 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.9 tt -112.32 149.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -108.41 133.87 51.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -148.7 -179.18 24.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.63 42.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.19 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.57 128.26 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -127.14 138.82 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -107.0 130.47 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.58 131.64 9.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -76.14 -59.37 2.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.29 138.18 58.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.02 129.96 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -160.47 96.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 77.3 t -74.23 127.1 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 89' ' ' VAL . 7.4 ptp180 -98.89 169.84 9.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.8 mt -123.21 105.12 9.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 14' ' ' LEU . 72.8 t -97.42 141.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.455 ' N ' HG13 ' A' ' 12' ' ' VAL . 26.3 t -127.12 113.43 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? -109.59 129.62 55.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -116.89 164.36 14.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 79.67 123.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.51 167.74 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 7.1 tttt -170.96 -84.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 163.4 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.77 -53.67 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.64 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' OE2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.88 67.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.63 -130.4 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -45.95 -40.7 10.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.22 -3.16 16.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 23' ' ' LEU . 12.2 p90 -133.58 132.89 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 150.09 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 3.3 pt -113.94 159.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -145.82 175.98 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.3 -121.61 5.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 83.74 166.93 41.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -48.43 -45.26 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' A' ' 72' ' ' HIS . 12.9 pt-20 -47.7 -39.8 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 -32.07 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.642 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.18 24.85 6.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG22 ' CE2' ' A' ' 38' ' ' TYR . 1.4 p -137.47 -150.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 0.794 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.547 ' N ' ' CG1' ' A' ' 35' ' ' VAL . . . -106.1 -122.33 4.96 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 10.1 mm -133.54 117.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.614 ' CE2' HG22 ' A' ' 35' ' ' VAL . 22.3 m-85 -123.9 150.75 44.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 42' ' ' VAL . 24.9 t -78.95 128.75 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.7 p -101.0 -40.7 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -139.36 148.8 43.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' CG2' HG11 ' A' ' 39' ' ' VAL . 2.6 t -135.43 129.42 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' OE2' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -70.54 123.03 88.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.27 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.43 24.15 1.55 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 p -105.19 -170.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 tp -74.77 -56.22 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -45.92 -65.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -26.85 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 46' ' ' SER . 7.7 mttp -79.23 -29.28 42.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' ALA . 26.1 mm-40 -74.6 -14.91 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' C ' ' NH1' ' A' ' 10' ' ' ARG . . . 118.15 -23.11 9.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -40.21 155.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.2 t -44.77 113.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.28 -38.16 1.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.36 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -140.07 110.94 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD12 ' CG1' ' A' ' 89' ' ' VAL . 21.5 mm -68.93 81.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 46.2 mt -54.74 -58.76 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -124.0 170.53 10.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -142.99 112.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 4.4 t-20 70.32 -61.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -159.46 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 149.89 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.374 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.3 p -104.99 123.51 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -84.61 50.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.83 -55.32 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.27 78.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -131.12 150.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.3 p -56.6 161.41 2.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CB ' ' OE1' ' A' ' 32' ' ' GLU . 14.0 t-80 -62.91 -23.9 67.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.56 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -33.76 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 23.2 mm-40 -61.05 -67.56 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -41.02 -51.97 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.3 t -56.53 -56.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -55.32 -22.28 18.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.0 -23.45 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' A' ' 62' ' ' VAL . 2.7 mt -71.6 -80.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? 47.78 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.9 68.8 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -179.36 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 82.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt 66.58 90.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' A' ' 63' ' ' ASN . 3.6 tp -83.41 131.34 35.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.5 t -102.32 101.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.8 mm? -75.6 121.49 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -94.01 102.03 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.472 ' CG1' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -113.53 156.06 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 7.8 t80 -116.81 149.06 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -129.71 155.01 46.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -155.44 97.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.83 171.64 13.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 151.5 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.9 mt -122.73 103.68 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.55 165.79 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.01 -165.75 27.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 152.3 40.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.051 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 p -167.2 120.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.5 159.02 39.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -93.05 104.17 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -178.43 105.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.07 151.71 32.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.85 167.79 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.18 162.38 41.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.36 -119.61 3.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 171.26 156.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 0.718 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.0 t -112.11 130.05 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' NH2' ' HA3' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -94.55 165.79 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.18 106.28 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG11 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -98.67 143.7 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.43 ' N ' HG11 ' A' ' 12' ' ' VAL . 15.8 t -128.29 125.05 38.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD2' HG11 ' A' ' 12' ' ' VAL . 4.3 mm? -122.29 154.65 37.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -81.16 168.84 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -78.23 57.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' HA ' ' CD2' ' A' ' 20' ' ' HIS . . . 65.22 152.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -171.52 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.77 29.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.504 ' CD2' ' HA ' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -152.41 -173.61 4.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.06 67.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.11 -110.28 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -114.07 0.09 14.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.42 -26.81 12.47 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 29.4 p90 -117.45 132.02 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 142.52 27.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 pt -104.73 164.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -151.81 163.34 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.63 -134.1 11.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.73 164.84 16.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -77.13 55.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -128.43 -43.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -17.19 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.31 40.95 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 36' ' ' GLY . 11.3 m -129.77 -142.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' N ' ' CG2' ' A' ' 35' ' ' VAL . . . -138.69 -124.61 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 75' ' ' ALA . 6.6 mm -132.91 101.61 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' A' ' 58' ' ' GLN . 92.7 m-85 -120.78 151.37 39.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.06 147.66 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p -116.82 -38.98 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.4 tm? -146.34 143.49 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.413 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.4 t -136.58 119.09 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 1.5 mt-10 -66.93 129.1 94.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.29 16.93 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.35 32.43 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB3' ' CB ' ' A' ' 43' ' ' GLU . 59.4 p -117.15 -178.55 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -80.67 -46.73 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -44.42 -57.45 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -52.21 -37.91 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.338 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' CB ' HG12 ' A' ' 12' ' ' VAL . 11.9 mm-40 -74.13 -20.51 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 121.7 -24.14 7.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -43.8 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.401 ' CA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.36 157.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 70.4 t -61.59 118.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.87 2.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -52.96 -179.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.586 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 1.2 tm0? -141.42 118.44 11.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 HD13 ' CG1' ' A' ' 89' ' ' VAL . 17.1 mm -75.08 86.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -62.67 -54.03 45.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.488 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 5.9 mtt180 -124.72 170.15 11.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.1 p -143.36 107.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 68.29 -66.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -147.53 -45.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -66.66 160.79 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 127.89 54.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -86.8 46.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.15 98.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 57.05 66.98 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 10.4 m -132.6 138.76 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -44.77 164.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.508 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.4 t-80 -61.46 -39.9 92.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.08 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -53.9 -65.18 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -53.28 -51.43 62.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 78.9 t -51.29 -58.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.19 -24.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.411 ' CB ' HG12 ' A' ' 62' ' ' VAL . . . -89.87 -43.16 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.448 ' HG ' ' CG2' ' A' ' 62' ' ' VAL . 4.5 mt -67.23 94.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 -100.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 82' ' ' SER . . . -132.66 -113.61 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLY . 2.3 t 84.0 69.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 42.1 83.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt 62.54 110.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' HD11 ' A' ' 87' ' ' LEU . 1.2 tp -82.55 111.88 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.9 t -98.37 103.16 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -79.06 123.76 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -99.16 111.91 24.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -129.37 149.48 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.479 ' CZ ' ' O ' ' A' ' 91' ' ' SER . 5.9 t80 -107.59 144.4 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 90' ' ' TYR . 7.5 t -94.83 145.29 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.44 54.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.73 156.44 6.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.2 tpp180 -72.14 -34.47 68.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.7 mm 65.42 -77.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ARG . 6.4 t 75.14 144.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.924 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.89 157.9 27.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.11 36.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -87.95 -57.64 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.04 102.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -151.07 106.41 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 63.26 166.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.6 -131.16 1.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.69 -63.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -136.69 127.41 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . 162.08 134.05 1.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 167.62 109.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 60' ' ' LEU . 1.8 m -73.19 162.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' CG ' HG23 ' A' ' 89' ' ' VAL . 4.3 ptp180 -104.46 169.58 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.7 mt -122.68 101.91 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.496 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 75.7 t -97.87 140.42 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' HG12 ' A' ' 12' ' ' VAL . 43.0 t -127.36 117.13 21.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 4.2 mm? -111.28 125.07 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 171.36 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 168.92 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.21 69.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -160.57 -44.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 83.59 32.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -59.0 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . 1.3 mt-10 -38.85 -50.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.09 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.587 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -104.72 28.59 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 -18.35 36.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.587 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 6.1 p90 -123.83 135.39 53.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.47 169.78 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 HG13 ' NE2' ' A' ' 72' ' ' HIS . 9.4 pt -128.95 166.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -149.65 169.2 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' CA ' HG23 ' A' ' 35' ' ' VAL . . . 82.74 -134.64 13.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 104.19 179.51 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 36.1 t -62.05 -156.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 31' ' ' SER . 3.5 tp10 66.81 -68.77 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -68.52 -40.27 80.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 44.38 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.4 HG23 ' CA ' ' A' ' 29' ' ' GLY . 12.0 m -140.56 152.48 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -74.64 -136.0 0.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 19.7 mm -124.54 149.06 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 33.5 m-85 -162.06 159.3 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -88.96 135.27 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 t -118.04 -11.18 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -153.82 141.37 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 54' ' ' ARG . 2.1 t -137.28 125.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.83 133.45 94.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 164.71 32.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.28 29.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PRO . 6.7 p -106.14 -178.82 3.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.3 tp -69.38 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -43.01 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.4 -28.69 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 tttp -74.37 -33.72 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' ALA . 62.2 mm-40 -75.17 -14.57 60.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.55 -19.02 24.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -42.71 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HA ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER 172.04 137.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -39.04 146.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.438 ' N ' HG22 ' A' ' 55' ' ' VAL . . . 103.2 -15.66 54.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.57 170.81 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 61.2 tt0 -127.82 110.32 12.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 37' ' ' ILE . 10.4 mm -75.26 88.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 11.7 mt -70.39 -43.92 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 15.5 mtt85 -133.34 157.64 44.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 79' ' ' LEU . 5.9 p -139.38 112.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.13 -57.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 -43.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -69.78 158.79 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.0 p -104.0 140.15 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -104.44 47.43 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.05 -70.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.77 94.04 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 17.6 m -138.71 144.47 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 p -46.02 164.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 3.2 t-80 -65.5 -30.41 71.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.16 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 27.1 mm-40 -67.07 -62.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -47.17 -47.75 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 66.4 t -58.78 -54.74 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.08 -20.96 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -85.87 -37.08 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 62' ' ' VAL . 9.3 mt -52.61 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 169.12 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.03 159.05 30.46 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.4 m 64.01 145.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.6 tttm 42.15 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 87' ' ' LEU . 2.7 tp -86.55 104.23 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.48 100.69 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 1.1 mm? -74.11 130.29 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 4.3 m -105.09 113.34 26.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -130.64 134.47 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.443 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 3.4 t80 -83.1 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -108.83 146.19 34.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.07 111.75 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.8 154.45 0.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 140.38 57.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.45 134.28 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -130.05 167.11 18.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.27 132.79 4.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.95 6.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.1 t -139.66 -58.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.4 m 52.22 100.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.85 158.49 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.64 107.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.83 -139.72 4.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -94.15 161.9 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 169.55 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.46 137.72 5.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -147.83 116.51 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.6 129.71 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.489 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -94.55 169.82 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -120.96 110.61 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 14' ' ' LEU . 48.3 t -105.7 141.98 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 p -129.37 124.16 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.5 mm? -121.7 129.96 53.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.34 130.78 48.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' CD ' ' NE2' ' A' ' 20' ' ' HIS . 1.9 ttm-85 169.8 117.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.84 116.14 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -166.57 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.59 27.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' A' ' 16' ' ' ARG . 31.7 p-80 -147.3 151.39 36.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.585 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.0 155.14 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.16 155.33 22.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.34 18.5 22.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.75 -24.43 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 22.1 p90 -123.5 137.33 54.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 146.38 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.86 164.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -149.69 175.53 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -137.69 13.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.4 151.76 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.4 p -64.72 -22.83 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.51 -15.54 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.27 9.01 49.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.52 178.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.13 -127.37 5.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mm -125.46 134.92 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG ' ' A' ' 58' ' ' GLN . 99.0 m-85 -152.38 146.89 25.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 42' ' ' VAL . 36.2 t -61.9 140.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 p -114.71 -36.5 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.052 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 1.1 tm? -148.06 141.79 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 39' ' ' VAL . 2.6 t -136.87 117.97 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 49' ' ' GLU . 1.4 mt-10 -67.68 136.68 92.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -19.43 17.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.85 33.76 5.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.5 p -120.8 156.1 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 ' CG ' ' A' ' 51' ' ' GLU . 10.4 tt -61.1 -35.7 77.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' N ' ' CD1' ' A' ' 14' ' ' LEU . . . -53.81 -49.02 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 3.0 tm-20 -66.09 -21.73 66.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.24 -33.22 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' CG ' HD22 ' A' ' 47' ' ' LEU . 13.7 mm-40 -73.17 -7.51 51.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 106.81 -18.42 37.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.609 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -42.28 162.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.71 156.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 55.8 t -61.14 117.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.24 -39.84 1.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.17 167.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.565 ' CG ' ' CE1' ' A' ' 38' ' ' TYR . 67.0 tt0 -129.67 114.36 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 89' ' ' VAL . 19.5 mm -72.27 101.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.2 -54.0 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -124.41 164.03 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 4.9 p -142.68 112.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 73.13 -59.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.73 -44.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 154.95 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -102.83 144.72 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 69' ' ' ARG . 8.9 mt -94.52 44.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.01 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 39.64 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.5 m -134.55 150.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.9 p -54.76 155.86 4.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.459 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 2.2 t-80 -57.68 -26.31 61.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.627 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.81 -28.48 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 11.3 mm-40 -71.26 -59.06 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.48 -49.69 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 57.5 t -57.43 -52.02 62.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.67 -21.15 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' CB ' HG12 ' A' ' 62' ' ' VAL . . . -90.7 -54.48 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.21 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.36 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.31 80.79 0.28 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.4 p -104.88 124.03 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 121.06 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 65.61 60.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -77.79 105.08 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -73.8 123.47 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.561 HD11 ' CZ ' ' A' ' 25' ' ' PHE . 22.0 mt -115.1 121.38 42.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -97.65 99.81 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.489 HG23 ' CG ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -111.6 140.0 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -94.58 141.55 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 p -97.78 127.25 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.47 174.08 8.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.25 89.63 0.8 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 151.6 39.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 mt -118.0 109.8 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 166.45 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.28 169.99 13.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.58 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.2 p -158.87 158.36 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.9 p -70.55 134.89 48.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -153.62 103.1 2.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.88 145.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.12 151.91 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.4 126.31 52.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.66 136.87 49.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.57 129.43 2.28 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -178.29 116.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 m -73.94 150.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 157.4 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.1 mt -108.28 101.74 10.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.533 ' CG1' ' CD2' ' A' ' 14' ' ' LEU . 83.7 t -94.49 140.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' N ' HG13 ' A' ' 12' ' ' VAL . 5.7 m -128.26 116.6 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 12' ' ' VAL . 3.9 mm? -115.87 145.87 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -149.73 -63.47 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 73.91 -74.4 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 6.7 tptt -147.28 -75.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -140.22 36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -85.65 65.99 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.637 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.1 tt0 69.64 140.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' HG ' ' A' ' 23' ' ' LEU . . . -64.55 76.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD13 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER 68.23 -59.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 156.95 -22.95 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.15 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.593 ' CE1' HD13 ' A' ' 23' ' ' LEU . 54.1 p90 -117.02 148.75 41.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 134.97 41.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 pt -100.42 164.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -154.68 164.67 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 -149.19 17.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.47 155.96 7.88 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -65.59 -24.88 67.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.07 -31.63 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -90.03 -13.76 35.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.632 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.75 63.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 177.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.72 -126.42 4.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.2 mm -129.25 150.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 85.4 m-85 -160.92 148.2 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 142.03 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 p -115.18 -37.64 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 6.9 tt -147.36 149.23 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' N ' HD22 ' A' ' 41' ' ' LEU . 4.0 t -136.64 120.77 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.56 139.46 96.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.01 163.22 35.75 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.7 29.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PRO . 55.2 p -101.94 174.15 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.9 tp -66.53 -45.31 79.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -51.09 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.43 -36.72 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -69.83 -33.89 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ALA . 32.4 mm-40 -71.28 -20.49 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.37 -19.55 9.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -46.28 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.56 138.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 23.3 t -46.82 109.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.01 -37.74 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.7 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 53.5 tt0 -136.42 115.28 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.404 ' CD1' HG11 ' A' ' 89' ' ' VAL . 6.1 mm -75.51 92.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.96 -53.88 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 14.4 mtm105 -124.21 161.45 25.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.1 p -142.75 113.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' ND2' HD11 ' A' ' 85' ' ' LEU . 0.9 OUTLIER 72.33 -60.38 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.23 -45.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.63 150.45 48.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.0 p -104.11 136.78 43.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.13 46.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.49 -70.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -142.33 91.07 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.3 m -139.17 153.08 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -55.57 161.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -60.49 -32.84 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.574 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.81 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 12.1 mm-40 -56.12 -63.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -45.03 -52.01 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' LEU . 60.9 t -54.55 -59.67 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.39 -24.36 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.73 -30.04 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 62' ' ' VAL . 3.2 mt -75.4 58.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.6 177.35 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 171.53 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.96 110.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 136.26 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.85 102.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.408 HD11 ' ND2' ' A' ' 63' ' ' ASN . 6.3 tp -89.83 133.39 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.69 105.43 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.2 mm? -79.17 130.21 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 61' ' ' ARG . 22.3 m -105.32 109.9 22.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG11 ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.94 138.97 53.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 91' ' ' SER . 3.8 t80 -83.68 152.12 24.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 4.4 t -115.29 139.3 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.98 174.93 5.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.78 94.44 1.53 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.92 -178.21 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.86 29.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.24 136.79 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.7 -142.05 7.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.28 22.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 t -152.14 137.63 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.0 158.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.82 140.01 3.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m 56.65 166.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 -87.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -116.89 160.1 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -144.82 155.91 43.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.41 115.02 1.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.41 68.88 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 89' ' ' VAL . 72.3 t -75.47 139.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' N ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -120.99 149.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -101.4 109.5 21.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 14' ' ' LEU . 38.9 t -94.09 146.62 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -128.91 123.53 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.8 mm? -120.38 120.62 36.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -79.43 169.46 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 63.34 90.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.93 107.47 14.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.2 mmtt -120.57 -73.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 160.69 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.99 -17.65 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.73 127.95 41.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' PHE . . . -79.3 53.63 4.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD13 ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER 62.68 12.23 5.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.79 -20.4 48.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.605 ' CE2' HD13 ' A' ' 23' ' ' LEU . 6.4 p90 -119.58 138.24 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 1.8 t -89.12 171.72 9.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 pt -134.56 170.71 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -157.64 174.8 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.53 -133.15 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.84 160.15 11.82 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -66.15 -30.06 70.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.82 -14.95 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -108.87 -10.45 15.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.14 26.72 39.48 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 m -128.51 166.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.7 -128.36 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.553 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.9 mm -133.28 142.12 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 20.3 m-85 -157.66 168.06 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG23 ' CD1' ' A' ' 25' ' ' PHE . 24.6 t -86.59 139.99 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.22 -21.31 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 42' ' ' VAL . 3.0 tp -152.46 145.79 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.489 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 2.6 t -135.81 129.43 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.61 140.32 86.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 159.16 41.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 37.11 33.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' PRO . 36.8 p -101.05 178.85 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.4 tp -70.75 -54.22 12.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' GLU . . . -41.33 -63.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -48.83 -38.16 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -70.99 -32.6 69.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' CB ' HG13 ' A' ' 12' ' ' VAL . 28.5 mm-40 -73.31 -21.65 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.16 -26.44 5.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -40.59 154.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.7 140.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 t -45.3 100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.89 -24.0 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -143.29 110.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' A' ' 89' ' ' VAL . 10.9 mm -78.34 105.23 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 15.6 mt -84.08 -44.79 13.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -132.18 165.42 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.474 HG21 ' CD2' ' A' ' 79' ' ' LEU . 9.8 p -139.03 113.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 72.1 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -158.6 -45.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -67.47 149.75 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.29 127.85 50.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 75' ' ' ALA . 2.6 mt -57.98 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 55.21 59.59 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.04 104.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.2 m -148.77 146.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' GLU . 62.7 p -42.94 143.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.45 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 9.9 t-80 -49.14 -26.18 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.62 -38.96 53.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.9 mm-40 -60.98 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 67' ' ' LEU . . . -40.47 -49.76 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 94.7 t -55.53 -55.63 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -52.24 -22.02 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.31 -41.24 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' CD2' HG21 ' A' ' 62' ' ' VAL . 3.0 mt -82.87 66.97 8.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 178.89 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.01 147.52 8.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER 174.98 152.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.983 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' SER . 1.3 tptm 57.39 108.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.6 tp -91.06 103.51 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t -96.37 107.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -81.24 119.04 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -92.4 101.02 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -110.49 156.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.475 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 6.0 t80 -110.58 145.84 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -132.08 159.07 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.34 151.19 24.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.28 150.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 138.82 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.2 pt -116.03 162.59 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.36 155.57 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.32 173.63 27.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.26 7.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.51 167.5 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.3 m -97.24 166.49 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -176.99 155.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.971 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 171.43 17.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.16 160.38 20.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.122 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.3 159.76 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -108.26 170.79 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.35 130.38 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -147.16 90.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.07 125.38 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.0 OUTLIER -95.68 165.1 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.0 mt -120.1 102.77 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 51' ' ' GLU . 51.7 t -94.71 144.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' HG13 ' A' ' 12' ' ' VAL . 14.3 p -128.97 122.82 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD22 ' CG1' ' A' ' 12' ' ' VAL . 3.4 mm? -117.36 168.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.56 171.8 12.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.32 133.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 175.02 124.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 2.9 tttt -178.02 50.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 18' ' ' LYS . . . 83.74 -59.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -79.0 111.36 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 68.15 106.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -124.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -105.33 25.78 10.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.34 -21.86 26.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 15.7 p90 -123.31 135.21 54.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 158.69 16.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 4.6 pt -118.73 165.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.42 ' HA ' ' NE2' ' A' ' 72' ' ' HIS . 9.8 ptt180 -144.24 175.97 9.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.82 -136.87 14.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.11 145.86 8.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -46.38 -39.9 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -45.39 -44.9 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -26.25 39.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.582 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.94 21.17 12.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.15 172.46 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.15 -150.21 7.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.174 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.6 mm -119.23 126.19 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 51.2 m-85 -140.56 167.4 22.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -73.26 136.72 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.48 -45.56 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 tt -143.21 153.15 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.69 118.09 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.3 145.97 99.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.11 23.2 1.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -94.48 166.13 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CG ' ' A' ' 51' ' ' GLU . 5.5 tt -64.24 -52.2 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 14' ' ' LEU . . . -39.72 -49.31 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.99 -43.32 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.5 mttm -58.79 -38.2 78.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.554 ' CG ' ' CD2' ' A' ' 47' ' ' LEU . 9.0 mm-40 -73.96 -8.0 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 104.5 -21.86 35.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.577 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -39.22 151.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.55 145.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.9 t -46.51 115.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.3 -44.21 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 77.6 m-20 -47.45 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.607 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 64.8 tt0 -133.84 109.42 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.441 ' CD1' HG13 ' A' ' 89' ' ' VAL . 12.1 mm -69.6 84.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 90' ' ' TYR . 30.6 mt -65.33 -54.7 25.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 7.8 mtt85 -124.65 166.0 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 4.3 p -143.63 106.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.8 t-20 83.3 -51.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.9 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.16 137.72 55.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -92.51 122.49 34.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 19.3 mt -72.26 -65.38 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 67' ' ' LEU . . . 85.84 -45.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.57 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -155.24 -84.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 69' ' ' ARG . 6.1 m 52.51 163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.9 p -75.88 148.68 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.3 t-80 -46.27 -27.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.06 -41.64 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' THR . 44.6 mm-40 -60.24 -63.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.34 -48.29 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 72' ' ' HIS . 85.2 t -60.66 -52.43 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -55.72 -21.24 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.92 -39.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 62' ' ' VAL . 10.3 mt -72.64 91.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.28 137.92 21.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.8 -80.4 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.49 -79.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 84' ' ' LYS . 17.3 mttt -140.06 96.82 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER 33.71 89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' CD2' HD12 ' A' ' 87' ' ' LEU . 26.5 tp -76.88 151.46 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.87 101.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.5 mm? -78.11 119.08 21.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -93.6 108.28 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -123.36 138.31 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 5.9 t80 -97.09 118.65 33.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.446 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 42.1 t -99.96 133.02 44.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.56 178.09 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -48.2 101.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.64 134.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 tt -138.02 146.29 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.5 p -178.49 150.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 80.17 152.66 8.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.14 2.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -153.77 152.37 30.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 p -111.42 108.75 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.62 165.12 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -119.45 108.96 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.776 HG11 HD13 ' A' ' 53' ' ' LEU . 73.7 t -102.18 140.65 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.563 ' C ' HD22 ' A' ' 14' ' ' LEU . 28.1 t -128.92 125.6 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.4 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.892 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.75 -19.8 48.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.2 p90 -127.52 136.16 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.47 153.29 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 79' ' ' LEU . 7.1 pt -112.39 167.16 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -150.42 168.32 24.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.92 -134.38 11.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.51 146.81 9.28 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -56.67 -22.71 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.42 -20.19 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 -8.83 16.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.17 2.21 64.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.34 166.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.877 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -84.72 -124.35 1.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 36' ' ' GLY . 10.9 mm -131.9 144.82 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.2 m-85 -160.4 152.76 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 55' ' ' VAL . 76.5 t -66.05 130.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.97 -36.87 6.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 9.6 tt -145.03 143.48 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.72 117.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.97 140.35 96.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.97 166.17 29.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 30.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 13.8 p -101.09 177.09 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.4 tp -71.5 -51.87 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.662 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.45 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.4 tp10 -50.78 -28.39 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.63 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CB ' HG13 ' A' ' 12' ' ' VAL . 7.3 mm-40 -71.08 -17.58 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . 122.31 -27.56 6.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -39.82 153.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -170.94 147.46 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 39' ' ' VAL . 5.2 t -53.57 102.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.85 40.18 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 3.6 m-20 -118.8 172.93 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HG2' HD23 ' A' ' 60' ' ' LEU . 10.0 tt0 -132.41 109.0 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.899 HD13 HG13 ' A' ' 89' ' ' VAL . 15.9 mm -70.51 90.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.928 HD11 ' HB2' ' A' ' 90' ' ' TYR . 35.4 mt -68.4 -47.58 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -135.98 159.38 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 85' ' ' LEU . 1.2 p -143.47 112.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 79.78 -56.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -172.21 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.3 145.04 54.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -99.07 119.28 37.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 19.4 mt -68.1 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.89 -75.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -148.89 89.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.7 m -134.07 154.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -53.96 151.43 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.794 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 t-80 -53.6 -25.88 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.19 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -70.07 -56.51 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.38 -51.27 63.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.9 t -56.16 -52.06 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -53.58 -20.66 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.567 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -90.06 -34.73 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 23' ' ' LEU . 6.1 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.767 HD11 HG22 ' A' ' 62' ' ' VAL . 37.2 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.567 ' H ' HD12 ' A' ' 85' ' ' LEU . 13.2 t -119.93 106.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.695 HD22 ' N ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -85.65 119.22 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.34 110.99 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.899 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -124.39 142.31 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.928 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.3 t80 -99.37 145.9 26.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.29 164.78 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.74 104.02 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.858 HG11 HD13 ' A' ' 53' ' ' LEU . 74.3 t -94.6 145.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.4 t -128.13 130.32 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD11 ' N ' ' A' ' 48' ' ' ALA . 2.8 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.16 -0.45 22.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 30.4 p90 -139.11 133.94 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.65 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 pt -114.19 161.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -144.07 171.38 14.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 -153.83 17.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.27 138.12 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 t -58.65 -33.97 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -55.51 -36.0 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.99 -26.76 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.68 -7.88 27.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.03 172.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -91.22 -123.59 2.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 36' ' ' GLY . 8.8 mm -131.22 145.65 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 79.7 m-85 -159.45 150.38 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 42' ' ' VAL . 61.3 t -60.73 136.62 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -111.24 -35.55 5.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.1 tm? -148.93 148.31 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.779 ' H ' HD22 ' A' ' 41' ' ' LEU . 41.4 t -136.47 123.26 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.46 141.46 95.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 158.94 42.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.28 33.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.2 p -103.76 172.81 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.5 tp -67.2 -52.27 43.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -42.8 -59.26 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.83 -40.15 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -62.93 -35.24 79.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.773 ' CB ' HG13 ' A' ' 12' ' ' VAL . 19.7 mm-40 -68.01 -24.63 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 125.5 -17.39 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.858 HD13 HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -45.94 158.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 177.28 132.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.2 t -45.06 117.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.95 -32.43 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.8 tt0 -142.56 113.4 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.892 HD13 HG13 ' A' ' 89' ' ' VAL . 16.4 mm -69.6 93.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 90' ' ' TYR . 26.3 mt -72.7 -52.03 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 32.5 mtt180 -131.8 163.26 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -143.54 113.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 4.3 t-20 79.61 -62.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -163.87 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.7 161.84 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.7 p -109.81 138.88 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 75' ' ' ALA . 3.0 mt -86.72 47.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 99.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 39.79 82.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.6 m -132.45 149.93 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.7 p -56.77 160.77 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -60.61 -29.74 69.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.3 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 42.1 mm-40 -67.27 -57.52 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -52.93 -50.5 63.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.6 t -53.75 -57.01 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -51.9 -22.06 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.08 -46.23 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.76 HD11 HG22 ' A' ' 62' ' ' VAL . 3.4 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.69 103.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 122.39 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -97.7 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.892 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -120.74 146.98 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.929 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.1 t80 -103.74 114.55 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 89' ' ' VAL . 40.3 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.749 ' CG ' HG23 ' A' ' 89' ' ' VAL . 2.2 ptt180 -94.59 169.79 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -126.07 101.07 6.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.5 t -95.9 143.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -128.78 115.11 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.48 7.59 56.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 8.3 p90 -143.99 131.64 21.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 165.63 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.37 167.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' TYR . 10.4 ptt180 -155.29 166.2 34.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.61 -151.9 18.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.35 148.16 5.6 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -63.4 -28.12 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.45 -28.78 69.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -12.35 32.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.64 82.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.11 165.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.78 -126.41 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 7.4 mm -132.84 146.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 33.2 m-85 -160.11 161.2 33.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.762 HG11 HG23 ' A' ' 42' ' ' VAL . 44.8 t -74.5 137.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -106.84 -26.69 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -153.29 148.52 26.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.813 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.0 t -136.68 119.56 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.96 142.34 97.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.97 163.51 35.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.09 30.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.423 1.077 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 2.2 p -99.52 174.13 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' GLU . 8.4 tp -68.48 -55.28 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.9 -65.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -27.89 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -79.52 -30.45 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LEU . 12.9 mm-40 -77.49 -17.06 58.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.05 7.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.31 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 171.78 145.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.41 113.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.23 -26.7 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.749 ' OD1' HG23 ' A' ' 39' ' ' VAL . 7.3 p-10 -56.28 170.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 10.1 tt0 -128.96 113.31 15.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.78 HD13 ' CG1' ' A' ' 89' ' ' VAL . 8.5 mm -77.44 90.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.944 HD11 ' HB2' ' A' ' 90' ' ' TYR . 24.0 mt -67.05 -62.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 14.5 mtp180 -121.37 168.21 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 62' ' ' VAL . 9.8 p -143.6 113.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.16 -63.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -157.38 -45.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 150.74 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -105.66 129.46 53.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.4 mt -90.48 47.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.97 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 89.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.4 m -136.01 158.47 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -66.75 159.22 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 t-80 -53.21 -33.13 51.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -51.67 45.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.6 mm-40 -52.43 -52.5 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.65 -53.36 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.5 t -55.51 -57.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -52.72 -21.73 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -83.83 -39.92 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD12 ' H ' ' A' ' 86' ' ' VAL . 15.8 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' H ' HD12 ' A' ' 85' ' ' LEU . 33.8 t -111.04 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.638 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.5 mm? -78.87 118.87 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.2 m -96.36 106.79 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.78 ' CG1' HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -125.03 149.55 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.944 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.8 t80 -98.56 109.49 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 90' ' ' TYR . 26.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.705 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.2 ptp180 -103.03 169.74 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.31 102.01 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 53' ' ' LEU . 70.7 t -94.79 141.14 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 p -128.84 121.47 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 47' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.788 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.37 45.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 p90 -129.91 130.89 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.84 164.2 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.02 158.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.66 171.86 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.18 -154.94 18.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.68 135.58 3.92 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.61 -28.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.66 -59.51 3.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -19.55 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.71 42.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.25 171.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.9 -125.95 1.74 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 12.4 mm -131.08 145.55 35.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 79.8 m-85 -157.93 151.55 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG11 HG23 ' A' ' 42' ' ' VAL . 23.2 t -63.31 136.05 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 p -113.81 -30.89 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.5 tm? -146.69 148.21 31.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.8 t -136.53 120.36 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.91 137.9 94.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.95 160.74 39.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.43 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.6 p -100.78 176.87 5.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 14' ' ' LEU . 7.8 tt -67.71 -51.43 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.648 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.12 -68.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.87 -22.79 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -33.03 39.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.671 ' CG ' HD23 ' A' ' 47' ' ' LEU . 17.6 mm-40 -78.45 -11.51 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.31 -18.85 20.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -44.89 160.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.849 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.76 155.47 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.11 118.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.94 -26.48 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.43 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.577 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 9.4 tt0 -138.51 110.15 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 12.7 mm -73.8 83.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.0 mt -60.13 -60.94 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.1 mtm180 -112.89 162.85 15.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.954 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.8 p -140.83 113.85 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 70.23 -62.99 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -157.42 -45.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -67.27 157.49 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.3 p -111.13 123.57 50.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -83.68 50.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.56 -58.51 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -142.91 80.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 29.6 m -136.14 154.13 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -60.15 176.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 76' ' ' VAL . 12.2 t-80 -71.51 -35.11 70.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.26 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.5 mm-40 -56.11 -59.36 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.01 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 72' ' ' HIS . 90.7 t -58.44 -60.15 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -20.87 28.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.491 ' CB ' HG11 ' A' ' 62' ' ' VAL . . . -85.5 -24.79 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.7 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD21 HD23 ' A' ' 79' ' ' LEU . 3.7 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 85' ' ' LEU . 42.7 t -98.2 101.13 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.633 HD23 HD23 ' A' ' 14' ' ' LEU . 1.5 mm? -74.03 121.36 20.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -95.42 104.66 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -118.58 147.8 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.914 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.3 t80 -101.69 126.25 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 8.6 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 89' ' ' VAL . 50.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.638 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.8 ptp180 -94.37 168.33 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -122.47 104.87 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.75 HG13 ' CB ' ' A' ' 51' ' ' GLU . 78.5 t -97.69 144.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.575 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.5 m -127.99 124.9 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.3 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.26 -0.02 7.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 29.4 p90 -137.07 135.05 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.86 157.5 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.495 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.3 pt -128.1 165.35 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -149.64 174.63 12.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.09 -157.87 14.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.5 146.42 4.63 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.4 t -65.52 -12.1 49.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.42 -23.32 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.76 0.4 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.45 6.8 88.08 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 164.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.68 -124.81 0.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -133.05 149.91 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 70.7 m-85 -161.02 154.34 21.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.473 HG11 HG23 ' A' ' 42' ' ' VAL . 94.8 t -64.17 140.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -42.5 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.3 tm? -146.99 150.71 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.819 ' H ' HD22 ' A' ' 41' ' ' LEU . 3.2 t -136.57 121.81 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.08 140.2 95.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -75.01 166.64 28.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 31.31 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' PRO . 26.2 p -104.29 178.15 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 tp -73.4 -42.36 62.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.831 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.51 -67.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 42' ' ' VAL . 3.6 tp10 -51.02 -26.24 5.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.75 ' CB ' HG13 ' A' ' 12' ' ' VAL . 33.0 mm-40 -75.81 -17.08 59.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.82 -22.52 9.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -44.52 160.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.08 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 79.0 t -51.5 119.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.7 -40.34 1.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.4 170.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.587 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.9 tt0 -127.77 105.99 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.86 HD13 HG13 ' A' ' 89' ' ' VAL . 19.8 mm -67.14 79.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.587 HD23 ' HG2' ' A' ' 58' ' ' GLN . 46.4 mt -60.32 -59.56 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 54.8 mtm180 -119.7 166.11 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' HG ' ' A' ' 79' ' ' LEU . 7.5 p -143.43 116.44 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.49 -61.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -160.43 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -67.55 156.35 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -106.16 131.75 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.566 HD13 ' HB1' ' A' ' 75' ' ' ALA . 16.9 mt -92.85 46.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.84 -77.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -132.79 88.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.8 m -135.9 150.67 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.4 p -58.98 156.54 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.83 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 t-80 -55.02 -30.5 59.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.06 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -61.65 -55.45 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -54.28 -47.03 72.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 72' ' ' HIS . 86.9 t -63.5 -39.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -66.1 -17.68 64.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.65 -25.98 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.599 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.2 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.0 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.5 105.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -79.61 128.26 33.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.3 m -103.11 101.69 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -113.63 150.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 9' ' ' VAL . 1.9 t80 -77.5 124.48 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -97.26 167.28 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.51 106.9 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 14' ' ' LEU . 86.0 t -96.84 143.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.616 ' C ' HD22 ' A' ' 14' ' ' LEU . 23.3 t -127.94 123.31 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.816 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.6 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.866 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.2 -17.82 54.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -129.68 130.19 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.62 151.75 21.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -117.28 159.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -141.91 171.76 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.42 -154.31 20.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.53 172.05 12.83 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -88.97 43.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.57 -37.65 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -12.64 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.25 43.26 3.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.93 -178.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.81 -130.13 6.86 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 12.7 mm -130.47 144.15 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 64.6 m-85 -157.26 152.13 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.634 ' CG1' HG23 ' A' ' 42' ' ' VAL . 98.9 t -60.27 137.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.25 -39.45 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.052 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 tt -149.55 141.2 23.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.7 t -136.68 119.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 135.1 89.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -21.13 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.28 30.13 8.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 p -113.01 -179.89 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.2 tp -80.4 -46.55 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.816 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.94 -52.82 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.39 -32.86 69.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.7 mttt -73.69 -27.98 61.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 16.9 mm-40 -77.24 -18.78 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 119.93 -24.53 7.86 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -40.8 159.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 0.731 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.94 138.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 40' ' ' SER . 73.1 t -42.9 119.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.43 -36.51 2.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -52.2 -177.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.718 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.8 tt0 -141.78 112.28 7.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.974 HD13 HG13 ' A' ' 89' ' ' VAL . 14.7 mm -70.67 89.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 90' ' ' TYR . 18.3 mt -70.19 -43.88 69.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.2 mtt180 -138.62 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 67' ' ' LEU . 5.1 p -143.6 115.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t30 75.39 -59.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.31 -44.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -71.9 150.27 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 p -94.47 145.3 24.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -90.94 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' ARG . . . -50.09 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER 39.1 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -137.43 143.98 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 p -49.27 147.4 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t-80 -49.95 -30.99 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.05 -35.19 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 41.4 mm-40 -66.45 -56.02 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.32 -53.98 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 61.6 t -55.1 -53.45 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -53.47 -21.62 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.17 -40.38 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.441 HD23 ' CG2' ' A' ' 62' ' ' VAL . 13.7 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.2 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 85' ' ' LEU . 24.5 t -101.85 102.17 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 121.15 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 19.7 m -94.85 112.06 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.16 157.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.3 t80 -119.47 128.93 54.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.82 164.7 12.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.34 105.13 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.607 HG11 HD13 ' A' ' 53' ' ' LEU . 65.7 t -95.06 144.98 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.458 ' C ' HD22 ' A' ' 14' ' ' LEU . 13.5 p -128.57 123.28 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.1 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.29 -7.22 28.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 20.1 p90 -131.01 133.93 46.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 154.28 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pt -118.44 165.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -148.25 158.99 44.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.13 -153.37 17.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.1 145.66 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -60.25 -32.55 71.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.89 -17.85 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.27 -25.06 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.83 7.92 49.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.17 163.61 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.83 -131.34 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 5.7 mm -130.46 148.49 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 41.5 m-85 -162.42 156.85 21.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG11 HG23 ' A' ' 42' ' ' VAL . 41.4 t -82.1 132.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.502 ' HA ' HG23 ' A' ' 55' ' ' VAL . 3.7 p -115.88 -13.08 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -153.58 141.48 20.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -137.0 125.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 128.59 93.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.42 37.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.33 23.42 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -105.07 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -71.14 -53.44 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.672 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.11 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -49.49 -33.23 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.57 -32.56 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' LEU . 19.3 mm-40 -72.59 -18.64 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.03 -11.19 22.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.607 HD13 HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -53.58 166.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.773 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 166.64 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.502 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -38.91 144.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.66 -32.98 6.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CG ' ' NH2' ' A' ' 10' ' ' ARG . 22.0 m-20 -57.91 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' A' ' 60' ' ' LEU . 10.4 tt0 -138.81 110.85 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.923 HD13 HG13 ' A' ' 89' ' ' VAL . 16.9 mm -71.65 78.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 90' ' ' TYR . 36.7 mt -54.17 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.2 mtt180 -117.03 166.89 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 HD21 ' A' ' 67' ' ' LEU . 8.8 p -143.32 111.34 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 75.51 -58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -166.08 -46.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.37 157.39 37.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.4 p -103.86 143.44 32.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 75' ' ' ALA . 4.9 mt -87.65 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 90.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' LEU . 46.3 mtt180 42.69 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.3 m -136.41 150.47 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.4 p -57.7 150.88 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 t-80 -51.11 -29.7 14.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.4 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -66.08 -56.88 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.28 -51.2 46.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 84.3 t -56.16 -61.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -21.97 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -84.83 -30.69 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 85' ' ' LEU . 4.4 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.63 ' HG ' HD11 ' A' ' 87' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -96.32 109.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.63 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.56 121.15 27.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 1.9 m -97.61 106.75 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.923 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -121.24 142.63 36.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.9 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.6 t80 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.0 163.09 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.02 106.41 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.4 t -94.53 142.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -128.75 120.15 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.76 -30.07 4.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 4.9 p90 -117.88 126.72 52.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.24 160.83 16.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 pt -122.1 163.13 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -146.95 175.71 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -139.2 16.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.05 155.35 12.79 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 70' ' ' VAL . 2.0 t -47.28 -24.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.1 -46.1 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 1.57 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.34 77.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.92 163.6 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.32 -132.41 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.489 HG13 HD13 ' A' ' 67' ' ' LEU . 9.9 mm -131.26 134.3 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 69.3 m-85 -144.83 153.6 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 HG23 ' A' ' 42' ' ' VAL . 58.6 t -64.24 138.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.458 ' C ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -110.34 -39.66 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.793 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.1 tm? -144.71 149.76 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.793 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.0 t -136.66 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.96 139.35 95.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.04 163.24 35.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.8 31.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PRO . 17.7 p -101.25 177.59 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.95 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.32 -49.86 38.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.99 -66.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.5 -32.9 13.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -71.31 -31.91 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ALA . 13.5 mm-40 -72.47 -21.05 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.99 -18.57 8.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -48.58 163.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.755 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 168.22 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' C ' ' A' ' 40' ' ' SER . 79.1 t -40.49 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.5 -44.08 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.74 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 8.6 tt0 -138.53 111.98 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.955 HD13 HG13 ' A' ' 89' ' ' VAL . 14.0 mm -68.41 85.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 90' ' ' TYR . 23.0 mt -64.45 -56.46 14.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 66.2 mtt180 -123.13 164.66 18.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 62' ' ' VAL . 5.4 p -143.42 107.67 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.62 -57.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -167.19 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 141.94 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.0 p -92.85 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 HG11 ' A' ' 62' ' ' VAL . 9.6 mt -90.28 48.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -40.56 -72.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -143.63 81.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 25.7 m -126.5 151.38 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -64.68 159.14 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.8 t-80 -55.73 -31.83 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.79 -32.04 71.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -71.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -46.84 -45.19 20.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 72' ' ' HIS . 95.5 t -62.45 -54.64 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.31 -19.92 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -87.32 -42.58 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 23' ' ' LEU . 2.6 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.0 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 85' ' ' LEU . 54.2 t -96.13 107.73 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -80.07 121.8 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -95.96 105.15 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.955 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -116.35 153.29 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.839 ' HB2' HD11 ' A' ' 60' ' ' LEU . 8.9 t80 -122.69 116.7 24.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.738 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.9 ptt180 -94.49 169.68 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.0 mt -125.09 103.09 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 53' ' ' LEU . 54.5 t -96.42 144.44 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 p -129.2 120.0 25.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 23' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.89 -8.09 4.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -131.64 143.47 50.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.62 143.22 28.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 pt -105.64 168.29 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.57 175.84 13.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.67 -143.48 16.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.23 157.42 9.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -63.67 -28.87 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.35 -43.14 74.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -15.93 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 -3.16 59.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.36 164.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -81.16 -125.44 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 36' ' ' GLY . 17.0 mm -129.86 142.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 61.3 m-85 -159.86 152.98 21.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 57' ' ' ASP . 45.7 t -75.64 136.71 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.471 ' C ' HG22 ' A' ' 55' ' ' VAL . 24.4 p -111.13 -19.47 12.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' VAL . 9.0 tt -153.24 148.73 27.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.2 t -136.63 117.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.02 136.96 94.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 166.6 28.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.5 30.93 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.8 p -105.79 177.57 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.4 tp -70.0 -55.21 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.21 -62.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.25 -26.56 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -77.11 -33.32 56.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CB ' HG13 ' A' ' 12' ' ' VAL . 9.5 mm-40 -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.62 -18.18 15.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.688 HD13 HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -40.84 155.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.18 140.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.471 HG22 ' C ' ' A' ' 40' ' ' SER . 32.8 t -46.26 112.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.06 -28.84 2.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 39' ' ' VAL . 3.7 p-10 -49.75 172.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.3 tt0 -137.68 112.69 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.748 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -75.88 99.16 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 mt -80.88 -44.33 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 75.7 mtt180 -133.65 165.62 24.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 ' HB1' ' A' ' 78' ' ' ALA . 8.7 p -143.49 117.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 71.0 -60.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.63 -45.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -68.93 157.27 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -102.57 148.99 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 75' ' ' ALA . 12.3 mt -94.09 43.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.66 96.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 42.69 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.77 136.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.5 p -47.77 156.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 t-80 -56.83 -31.03 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.58 69.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.21 -62.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.227 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -45.28 -45.72 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.8 t -57.35 -53.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.84 -20.95 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.736 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -86.58 -48.6 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' H ' ' A' ' 86' ' ' VAL . 33.7 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.427 ' H ' HD12 ' A' ' 85' ' ' LEU . 15.0 t -109.14 106.17 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -83.99 119.63 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 2.5 m -93.87 110.55 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.23 146.24 32.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.92 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.5 t80 -98.81 122.12 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.65 163.85 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -120.5 108.46 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 14' ' ' LEU . 76.8 t -102.23 141.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -127.41 112.38 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.77 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.95 -4.05 6.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.77 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 41.9 p90 -130.95 138.12 49.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 142.83 27.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 79' ' ' LEU . 40.8 pt -107.8 165.44 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -147.86 176.2 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.658 ' N ' ' HE ' ' A' ' 28' ' ' ARG . . . 90.53 -146.95 18.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.39 155.02 8.35 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -61.64 -33.41 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.57 -26.07 67.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -93.28 -21.69 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.92 -2.45 44.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.53 168.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -83.57 -121.89 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 36' ' ' GLY . 5.5 mm -132.35 147.42 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 54.0 m-85 -162.25 155.39 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' VAL . 40.7 t -82.08 131.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.526 ' HA ' HG23 ' A' ' 55' ' ' VAL . 24.9 p -116.84 -13.02 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -153.74 141.82 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.799 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.7 t -137.08 126.08 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.01 137.6 94.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.67 30.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.4 p -104.66 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.9 tp -67.82 -50.55 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -46.03 -65.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.58 -41.76 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -62.78 -33.22 74.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.7 mm-40 -72.23 -16.45 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 -13.54 24.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -50.31 165.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.6 mtt180 166.82 134.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.16 145.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.67 -30.75 8.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.74 179.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' HD23 ' A' ' 60' ' ' LEU . 10.2 tt0 -135.53 109.11 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.835 HD13 HG13 ' A' ' 89' ' ' VAL . 6.7 mm -68.54 80.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.7 mt -57.13 -60.59 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -125.12 162.42 24.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.796 HG22 HD11 ' A' ' 85' ' ' LEU . 9.8 p -143.51 114.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 22.0 t30 81.68 -58.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -72.74 163.28 28.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 m -105.91 140.47 38.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD21 ' CG1' ' A' ' 62' ' ' VAL . 20.9 mt -97.84 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -67.25 116.37 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.62 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 68' ' ' ALA . 24.0 m -144.45 145.59 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.0 p -57.7 147.32 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 t-80 -48.51 -28.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.607 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.03 -40.01 71.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 22.6 mm-40 -59.05 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -49.67 -50.86 41.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 72' ' ' HIS . 99.6 t -55.85 -53.2 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -52.71 -21.47 4.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.74 -34.89 12.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 27' ' ' ILE . 2.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 62' ' ' VAL . 12.2 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 t -94.45 106.31 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.736 HD22 ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -90.61 119.45 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.37 110.58 23.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -125.12 141.87 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.869 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.4 t80 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.588 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 42.7 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 6.8 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.44 145.34 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -97.26 102.5 14.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CB ' ' A' ' 51' ' ' GLU . 50.8 t -94.02 148.02 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.38 126.37 40.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.5 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.25 -9.05 4.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -129.1 132.72 47.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.67 141.24 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.71 160.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -145.79 175.34 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.29 -152.21 17.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.5 141.42 4.45 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 p -58.64 -24.68 61.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -57.06 -36.42 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -19.47 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.96 -2.99 41.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -107.46 151.35 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.37 -122.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.8 mm -132.95 148.99 31.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 82.5 m-85 -158.18 163.83 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' HG23 ' A' ' 42' ' ' VAL . 41.3 t -77.21 139.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' HG22 ' A' ' 55' ' ' VAL . 75.8 p -115.86 -35.85 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -143.85 146.5 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.753 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 t -136.67 123.01 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.14 140.51 95.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 158.29 42.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.92 30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 9.0 p -96.46 -175.86 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.2 tp -73.74 -54.39 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.651 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.92 -38.14 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -34.94 79.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.3 mm-40 -73.96 -24.61 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.4 -22.55 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -41.96 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.647 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER 172.71 133.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 40' ' ' SER . 69.8 t -40.23 119.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.34 -37.91 1.9 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.15 -179.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.559 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 9.3 tt0 -138.57 116.31 11.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 89' ' ' VAL . 15.1 mm -74.2 94.95 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 90' ' ' TYR . 29.3 mt -71.16 -52.05 21.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -122.52 164.61 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.942 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -142.48 111.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.24 -63.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' VAL . 48.0 t0 -155.26 -46.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.33 155.02 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.6 p -109.53 130.16 55.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.942 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -87.77 47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.12 22.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.54 77.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 31.5 m -132.42 154.68 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.8 p -64.07 166.16 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 t-160 -63.09 -29.28 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.94 71.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 30.2 mm-40 -64.27 -65.32 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.54 -50.85 9.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.1 t -57.93 -56.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -57.04 -21.28 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -90.25 -21.93 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 85' ' ' LEU . 9.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 HD23 ' A' ' 79' ' ' LEU . 1.1 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.516 ' N ' HD12 ' A' ' 85' ' ' LEU . 52.4 t -97.15 109.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.592 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.2 119.78 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.2 m -101.94 100.0 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.32 150.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.707 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.9 t80 -106.26 117.44 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 89' ' ' VAL . 25.1 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.696 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -97.08 169.72 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.2 mt -125.03 101.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 14' ' ' LEU . 62.4 t -95.51 143.62 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.83 119.48 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 110.041 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.652 HD11 ' H ' ' A' ' 48' ' ' ALA . 3.7 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.77 -8.01 4.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.9 p90 -132.72 133.59 43.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.54 139.75 30.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.84 158.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -142.08 170.8 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.83 -158.55 16.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.3 135.39 3.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 p -42.07 -35.41 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -56.74 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -22.14 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -4.21 39.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.8 m -105.27 172.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -87.57 -128.1 2.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -129.72 145.38 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.7 m-85 -159.02 153.93 24.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.666 ' CG1' HG23 ' A' ' 42' ' ' VAL . 61.4 t -70.59 134.34 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -111.88 -28.97 7.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 42' ' ' VAL . 3.2 tm? -152.63 141.03 20.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.78 118.88 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 132.0 91.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.01 -20.81 16.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 30.34 9.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.2 p -114.52 177.94 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 3.8 tp -77.76 -52.2 9.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.652 ' H ' HD11 ' A' ' 14' ' ' LEU . . . -40.4 -59.86 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -47.9 -44.02 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -69.78 -29.73 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.02 -22.31 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.0 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -40.5 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.38 141.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.9 t -44.83 120.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.63 -42.62 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -48.69 175.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 9.2 tt0 -137.88 116.1 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.957 HD13 HG13 ' A' ' 89' ' ' VAL . 16.2 mm -69.63 85.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 27.9 mt -64.57 -44.18 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.4 mtm180 -137.27 168.6 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.539 ' CG2' HD23 ' A' ' 79' ' ' LEU . 7.4 p -143.25 111.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.51 -62.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -158.26 -46.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -68.92 144.09 54.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 p -97.7 141.56 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.7 mt -97.59 44.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.14 -58.65 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.82 88.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.4 m -136.12 145.71 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -54.66 157.13 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.721 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -53.92 -37.62 64.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -51.01 -53.13 36.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 72' ' ' HIS . 59.5 t -56.24 -55.06 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -55.57 -22.91 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -81.98 -44.32 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.795 ' O ' HD22 ' A' ' 85' ' ' LEU . 10.8 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.97 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 123.84 27.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.5 m -100.26 100.97 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.957 HG13 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -116.52 154.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.4 t80 -109.14 118.66 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.27 147.89 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.23 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 53' ' ' LEU . 48.6 t -93.95 147.68 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.596 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.4 m -128.42 128.49 44.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.0 -27.33 9.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.9 p90 -119.54 134.89 55.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 158.1 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 79' ' ' LEU . 10.5 pt -118.17 168.3 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -151.51 172.99 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.4 -134.53 13.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.69 174.4 19.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -63.29 -21.06 66.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.05 -25.54 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.69 -5.04 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.74 -2.72 87.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -104.94 -175.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.96 -126.51 4.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 mm -131.76 120.2 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 77.4 m-85 -131.52 143.39 50.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 55' ' ' VAL . 84.0 t -58.09 137.23 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' HG22 ' A' ' 55' ' ' VAL . 26.9 p -114.24 -42.37 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.7 tt -138.3 149.31 45.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.818 ' N ' HD23 ' A' ' 41' ' ' LEU . 9.7 t -136.58 119.51 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.94 139.41 95.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.1 Cg_endo -74.98 165.99 30.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.16 29.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.9 p -99.43 170.55 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.0 tp -70.63 -48.53 54.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.732 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -49.02 -56.0 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.36 -34.05 68.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -73.02 -32.31 65.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LEU . 44.4 mm-40 -70.12 -21.59 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.74 -21.49 5.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.4 166.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.683 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 165.61 137.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 38.1 t -44.07 110.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.43 -40.48 1.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -53.98 172.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 5.7 tt0 -136.49 118.52 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.944 HD13 HG13 ' A' ' 89' ' ' VAL . 15.7 mm -71.84 109.92 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -92.76 -29.62 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -149.21 158.59 44.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 85' ' ' LEU . 6.3 p -143.55 110.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 81.71 -57.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -168.84 -46.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -67.9 160.13 29.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.8 p -106.33 139.88 40.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.13 43.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.74 -60.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -153.39 93.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.8 m -136.31 154.29 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.7 p -60.56 145.05 50.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.3 t-80 -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -50.56 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 24.0 mm-40 -49.29 -61.37 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -47.8 -54.33 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 98.5 t -52.84 -57.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.31 -23.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -89.7 -48.09 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 23' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 62' ' ' VAL . 28.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.82 109.73 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -83.69 119.46 24.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -98.83 104.07 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.944 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -115.28 139.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.7 t80 -92.82 124.53 36.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 10' ' ' ARG . 60.6 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 89' ' ' VAL . 77.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' CG ' HG23 ' A' ' 89' ' ' VAL . 7.4 ptp180 -98.89 169.84 9.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD22 ' CG1' ' A' ' 86' ' ' VAL . 21.8 mt -123.21 105.12 9.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.625 HG11 HD13 ' A' ' 53' ' ' LEU . 72.8 t -97.42 141.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -127.12 113.43 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.601 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.732 HD11 HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.22 -3.16 16.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 12.2 p90 -133.58 132.89 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 150.09 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 3.3 pt -113.94 159.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -145.82 175.98 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.3 -121.61 5.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 83.74 166.93 41.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -48.43 -45.26 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' A' ' 72' ' ' HIS . 12.9 pt-20 -47.7 -39.8 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 -32.07 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.642 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.18 24.85 6.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.79 HG13 ' N ' ' A' ' 36' ' ' GLY . 1.4 p -137.47 -150.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 0.794 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.79 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -106.1 -122.33 4.96 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 10.1 mm -133.54 117.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 35' ' ' VAL . 22.3 m-85 -123.9 150.75 44.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.507 ' CG1' HG23 ' A' ' 42' ' ' VAL . 24.9 t -78.95 128.75 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.446 ' C ' HG22 ' A' ' 55' ' ' VAL . 12.7 p -101.0 -40.7 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -139.36 148.8 43.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.776 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 t -135.43 129.42 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 123.03 88.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.27 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.43 24.15 1.55 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 p -105.19 -170.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 tp -74.77 -56.22 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -45.92 -65.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -26.85 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 46' ' ' SER . 7.7 mttp -79.23 -29.28 42.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' ALA . 26.1 mm-40 -74.6 -14.91 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' C ' ' NH1' ' A' ' 10' ' ' ARG . . . 118.15 -23.11 9.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.625 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -40.21 155.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' C ' ' A' ' 40' ' ' SER . 48.2 t -44.77 113.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.28 -38.16 1.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.36 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.501 ' HG2' HD23 ' A' ' 60' ' ' LEU . 50.9 tt0 -140.07 110.94 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.876 HD13 HG13 ' A' ' 89' ' ' VAL . 21.5 mm -68.93 81.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.2 mt -54.74 -58.76 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -124.0 170.53 10.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -142.99 112.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 4.4 t-20 70.32 -61.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -159.46 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 149.89 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.374 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' HD13 ' A' ' 67' ' ' LEU . 80.3 p -104.99 123.51 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -84.61 50.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.83 -55.32 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.27 78.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -131.12 150.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.3 p -56.6 161.41 2.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.694 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.0 t-80 -62.91 -23.9 67.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.56 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -33.76 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 23.2 mm-40 -61.05 -67.56 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -41.02 -51.97 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.3 t -56.53 -56.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -55.32 -22.28 18.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.0 -23.45 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.732 HD22 HD11 ' A' ' 23' ' ' LEU . 2.7 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.787 HD12 ' N ' ' A' ' 86' ' ' VAL . 3.6 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.787 ' N ' HD12 ' A' ' 85' ' ' LEU . 39.5 t -102.32 101.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.8 mm? -75.6 121.49 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -94.01 102.03 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.882 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -113.53 156.06 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.963 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.8 t80 -116.81 149.06 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.978 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.55 165.79 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.18 106.28 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -98.67 143.7 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 14' ' ' LEU . 15.8 t -128.29 125.05 38.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.936 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.42 -26.81 12.47 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE1' HD12 ' A' ' 23' ' ' LEU . 29.4 p90 -117.45 132.02 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 142.52 27.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 pt -104.73 164.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -151.81 163.34 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.63 -134.1 11.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.73 164.84 16.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -77.13 55.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -128.43 -43.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -17.19 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.31 40.95 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.3 m -129.77 -142.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -138.69 -124.61 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 75' ' ' ALA . 6.6 mm -132.91 101.61 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' A' ' 58' ' ' GLN . 92.7 m-85 -120.78 151.37 39.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 42' ' ' VAL . 21.5 t -65.06 147.66 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p -116.82 -38.98 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.4 tm? -146.34 143.49 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.4 t -136.58 119.09 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.93 129.1 94.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 -20.29 16.93 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.35 32.43 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 p -117.15 -178.55 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.6 tp -80.67 -46.73 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.634 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.42 -57.45 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -52.21 -37.91 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' LEU . 11.9 mm-40 -74.13 -20.51 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 121.7 -24.14 7.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -43.8 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.36 157.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 70.4 t -61.59 118.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.87 2.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -52.96 -179.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.741 ' OE1' HD23 ' A' ' 60' ' ' LEU . 1.2 tm0? -141.42 118.44 11.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 89' ' ' VAL . 17.1 mm -75.08 86.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -62.67 -54.03 45.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 5.9 mtt180 -124.72 170.15 11.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.971 ' HB ' HD21 ' A' ' 67' ' ' LEU . 3.1 p -143.36 107.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.2 t30 68.29 -66.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -147.53 -45.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -66.66 160.79 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 127.89 54.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.971 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.8 46.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.15 98.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 57.05 66.98 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 10.4 m -132.6 138.76 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -44.77 164.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.4 t-80 -61.46 -39.9 92.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.08 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -53.9 -65.18 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.28 -51.43 62.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 72' ' ' HIS . 78.9 t -51.29 -58.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.19 -24.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.686 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -89.87 -43.16 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.5 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 86' ' ' VAL . 1.2 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.9 t -98.37 103.16 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -79.06 123.76 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -99.16 111.91 24.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.946 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -129.37 149.48 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.898 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -107.59 144.4 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 90' ' ' TYR . 7.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.752 ' CG ' HG23 ' A' ' 89' ' ' VAL . 4.3 ptp180 -104.46 169.58 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 10' ' ' ARG . 16.7 mt -122.68 101.91 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 75.7 t -97.87 140.42 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -127.36 117.13 21.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 87' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 -18.35 36.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.1 p90 -123.83 135.39 53.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.47 169.78 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 9.4 pt -128.95 166.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -149.65 169.2 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.74 -134.64 13.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 104.19 179.51 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 36.1 t -62.05 -156.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 31' ' ' SER . 3.5 tp10 66.81 -68.77 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -68.52 -40.27 80.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 44.38 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 30' ' ' GLY . 12.0 m -140.56 152.48 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -74.64 -136.0 0.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 19.7 mm -124.54 149.06 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 33.5 m-85 -162.06 159.3 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 42' ' ' VAL . 41.8 t -88.96 135.27 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.56 ' HA ' HG23 ' A' ' 55' ' ' VAL . 6.7 t -118.04 -11.18 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.2 tm? -153.82 141.37 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.1 t -137.28 125.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.83 133.45 94.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 164.71 32.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.28 29.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PRO . 6.7 p -106.14 -178.82 3.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.3 tp -69.38 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.01 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.484 ' OE1' HG11 ' A' ' 42' ' ' VAL . 1.8 tp10 -50.4 -28.69 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 tttp -74.37 -33.72 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 47' ' ' LEU . 62.2 mm-40 -75.17 -14.57 60.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.55 -19.02 24.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -42.71 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.784 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 172.04 137.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.04 146.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.2 -15.66 54.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.57 170.81 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 10.0 tt0 -127.82 110.32 12.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.89 HD13 HG13 ' A' ' 89' ' ' VAL . 10.4 mm -75.26 88.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' A' ' 90' ' ' TYR . 11.7 mt -70.39 -43.92 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 15.5 mtt85 -133.34 157.64 44.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.628 ' CG2' HD23 ' A' ' 79' ' ' LEU . 5.9 p -139.38 112.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.13 -57.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 -43.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -69.78 158.79 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.0 p -104.0 140.15 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -104.44 47.43 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.05 -70.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.77 94.04 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 17.6 m -138.71 144.47 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 p -46.02 164.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -65.5 -30.41 71.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.16 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 27.1 mm-40 -67.07 -62.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -47.17 -47.75 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 66.4 t -58.78 -54.74 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.08 -20.96 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -85.87 -37.08 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 23' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.7 tp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.48 100.69 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 14' ' ' LEU . 1.1 mm? -74.11 130.29 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 4.3 m -105.09 113.34 26.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.89 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.64 134.47 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.85 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.4 t80 -83.1 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.635 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -94.55 169.82 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -120.96 110.61 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.943 HG11 HD13 ' A' ' 53' ' ' LEU . 48.3 t -105.7 141.98 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.511 ' C ' HD22 ' A' ' 14' ' ' LEU . 4.3 p -129.37 124.16 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.915 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.5 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.75 -24.43 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.946 ' CE1' HD12 ' A' ' 23' ' ' LEU . 22.1 p90 -123.5 137.33 54.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 146.38 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.86 164.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -149.69 175.53 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -137.69 13.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.4 151.76 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.4 p -64.72 -22.83 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.51 -15.54 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.27 9.01 49.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.52 178.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.13 -127.37 5.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 5.9 mm -125.46 134.92 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG ' ' A' ' 58' ' ' GLN . 99.0 m-85 -152.38 146.89 25.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 42' ' ' VAL . 36.2 t -61.9 140.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 55' ' ' VAL . 7.6 p -114.71 -36.5 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.1 tm? -148.06 141.79 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.634 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.6 t -136.87 117.97 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.4 mt-10 -67.68 136.68 92.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.95 -19.43 17.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.85 33.76 5.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.5 p -120.8 156.1 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 14' ' ' LEU . 10.4 tt -61.1 -35.7 77.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.915 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -53.81 -49.02 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 3.0 tm-20 -66.09 -21.73 66.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.24 -33.22 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.576 ' CG ' HD23 ' A' ' 47' ' ' LEU . 13.7 mm-40 -73.17 -7.51 51.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 106.81 -18.42 37.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.943 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -42.28 162.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.71 156.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' C ' ' A' ' 40' ' ' SER . 55.8 t -61.14 117.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.24 -39.84 1.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.17 167.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.565 ' CG ' ' CE1' ' A' ' 38' ' ' TYR . 9.2 tt0 -129.67 114.36 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 89' ' ' VAL . 19.5 mm -72.27 101.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 90' ' ' TYR . 28.8 mt -81.2 -54.0 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -124.41 164.03 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 78' ' ' ALA . 4.9 p -142.68 112.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 73.13 -59.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.73 -44.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 154.95 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -102.83 144.72 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -94.52 44.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.01 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 39.64 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.5 m -134.55 150.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.9 p -54.76 155.86 4.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -57.68 -26.31 61.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.627 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.81 -28.48 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 11.3 mm-40 -71.26 -59.06 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -48.48 -49.69 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' HIS . 57.5 t -57.43 -52.02 62.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.67 -21.15 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -90.7 -54.48 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 HD11 ' A' ' 23' ' ' LEU . 12.3 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.584 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.2 t -73.8 123.47 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.639 HD21 ' HG ' ' A' ' 85' ' ' LEU . 22.0 mt -115.1 121.38 42.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -97.65 99.81 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.894 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -111.6 140.0 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.3 t80 -94.58 141.55 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 90' ' ' TYR . 3.8 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -101.51 157.4 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.1 mt -108.28 101.74 10.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 83.7 t -94.49 140.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.7 m -128.26 116.6 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.72 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.9 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.085 HD11 HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.95 -22.95 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.15 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 54.1 p90 -117.02 148.75 41.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 134.97 41.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 79' ' ' LEU . 8.1 pt -100.42 164.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -154.68 164.67 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 -149.19 17.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.47 155.96 7.88 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -65.59 -24.88 67.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.07 -31.63 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -90.03 -13.76 35.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.632 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.75 63.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 177.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.72 -126.42 4.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.2 mm -129.25 150.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 85.4 m-85 -160.92 148.2 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 42' ' ' VAL . 59.4 t -60.42 142.03 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.528 ' C ' HG22 ' A' ' 55' ' ' VAL . 5.9 p -115.18 -37.64 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 42' ' ' VAL . 6.9 tt -147.36 149.23 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.554 ' N ' HD23 ' A' ' 41' ' ' LEU . 4.0 t -136.64 120.77 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.56 139.46 96.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.01 163.22 35.75 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.7 29.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PRO . 55.2 p -101.94 174.15 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.9 tp -66.53 -45.31 79.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.72 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.09 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.43 -36.72 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -69.83 -33.89 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.555 ' CB ' HG13 ' A' ' 12' ' ' VAL . 32.4 mm-40 -71.28 -20.49 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.37 -19.55 9.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -46.28 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER 178.56 138.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' SER . 23.3 t -46.82 109.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.01 -37.74 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.7 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.412 ' HG2' HD23 ' A' ' 60' ' ' LEU . 8.9 tt0 -136.42 115.28 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 6.1 mm -75.51 92.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.7 mt -76.96 -53.88 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 14.4 mtm105 -124.21 161.45 25.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 85' ' ' LEU . 1.1 p -142.75 113.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER 72.33 -60.38 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.23 -45.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.63 150.45 48.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.0 p -104.11 136.78 43.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.13 46.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.49 -70.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -142.33 91.07 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.3 m -139.17 153.08 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -55.57 161.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 t-80 -60.49 -32.84 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.81 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 12.1 mm-40 -56.12 -63.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -45.03 -52.01 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.9 t -54.55 -59.67 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.39 -24.36 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.73 -30.04 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.085 HD22 HD11 ' A' ' 23' ' ' LEU . 3.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 HD23 ' A' ' 79' ' ' LEU . 6.3 tp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.708 ' N ' HD12 ' A' ' 85' ' ' LEU . 53.2 t -108.69 105.43 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.2 mm? -79.17 130.21 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 61' ' ' ARG . 22.3 m -105.32 109.9 22.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.94 138.97 53.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.738 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.8 t80 -83.68 152.12 24.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 4.4 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 89' ' ' VAL . 72.3 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.667 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.99 149.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.764 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -101.4 109.5 21.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 14' ' ' LEU . 38.9 t -94.09 146.62 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -128.91 123.53 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.621 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.8 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.79 -20.4 48.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 p90 -119.58 138.24 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 1.8 t -89.12 171.72 9.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 20.5 pt -134.56 170.71 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -157.64 174.8 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.53 -133.15 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.84 160.15 11.82 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -66.15 -30.06 70.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.82 -14.95 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -108.87 -10.45 15.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.14 26.72 39.48 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 m -128.51 166.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.7 -128.36 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 67' ' ' LEU . 8.9 mm -133.28 142.12 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 20.3 m-85 -157.66 168.06 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 42' ' ' VAL . 24.6 t -86.59 139.99 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.535 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.22 -21.31 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.931 HD12 ' N ' ' A' ' 42' ' ' VAL . 3.0 tp -152.46 145.79 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.931 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 t -135.81 129.43 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 mm-40 -70.61 140.32 86.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 159.16 41.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 37.11 33.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' PRO . 36.8 p -101.05 178.85 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.4 tp -70.75 -54.22 12.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -41.33 -63.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -48.83 -38.16 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -70.99 -32.6 69.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 28.5 mm-40 -73.31 -21.65 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.16 -26.44 5.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -40.59 154.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.7 140.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 40' ' ' SER . 5.7 t -45.3 100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.89 -24.0 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.629 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.5 p-10 -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.47 ' HG2' HD23 ' A' ' 60' ' ' LEU . 62.6 tt0 -143.29 110.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.935 HD13 HG13 ' A' ' 89' ' ' VAL . 10.9 mm -78.34 105.23 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.953 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.6 mt -84.08 -44.79 13.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -132.18 165.42 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.001 HG11 ' HB1' ' A' ' 78' ' ' ALA . 9.8 p -139.03 113.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 72.1 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -158.6 -45.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -67.47 149.75 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.29 127.85 50.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -57.98 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 55.21 59.59 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.04 104.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.2 m -148.77 146.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' GLU . 62.7 p -42.94 143.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.9 t-80 -49.14 -26.18 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.62 -38.96 53.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.9 mm-40 -60.98 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 37' ' ' ILE . . . -40.47 -49.76 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.7 t -55.53 -55.63 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -52.24 -22.02 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.001 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.31 -41.24 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HG ' HG21 ' A' ' 62' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.6 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t -96.37 107.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.639 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -81.24 119.04 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -92.4 101.02 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.935 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.49 156.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.953 ' HB2' HD11 ' A' ' 60' ' ' LEU . 6.0 t80 -110.58 145.84 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.68 165.1 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 86' ' ' VAL . 31.0 mt -120.1 102.77 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 53' ' ' LEU . 51.7 t -94.71 144.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -128.97 122.82 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 47' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.34 -21.86 26.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -123.31 135.21 54.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 158.69 16.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 4.6 pt -118.73 165.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HA ' ' HE2' ' A' ' 72' ' ' HIS . 9.8 ptt180 -144.24 175.97 9.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.82 -136.87 14.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.11 145.86 8.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -46.38 -39.9 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -45.39 -44.9 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -26.25 39.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.582 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.94 21.17 12.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.15 172.46 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.15 -150.21 7.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.174 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 69' ' ' ARG . 19.6 mm -119.23 126.19 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 51.2 m-85 -140.56 167.4 22.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -73.26 136.72 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.48 -45.56 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.9 tt -143.21 153.15 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -136.69 118.09 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.3 145.97 99.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.11 23.2 1.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -94.48 166.13 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 14' ' ' LEU . 5.5 tt -64.24 -52.2 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -39.72 -49.31 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.99 -43.32 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.5 mttm -58.79 -38.2 78.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.713 ' HG2' HD23 ' A' ' 47' ' ' LEU . 9.0 mm-40 -73.96 -8.0 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 104.5 -21.86 35.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -39.22 151.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.639 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 179.55 145.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 40' ' ' SER . 53.9 t -46.51 115.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.3 -44.21 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 77.6 m-20 -47.45 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.607 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 9.1 tt0 -133.84 109.42 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -69.6 84.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.6 mt -65.33 -54.7 25.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 7.8 mtt85 -124.65 166.0 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HD23 ' A' ' 79' ' ' LEU . 4.3 p -143.63 106.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 83.3 -51.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.9 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.16 137.72 55.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -92.51 122.49 34.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.722 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 19.3 mt -72.26 -65.38 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . 85.84 -45.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.814 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -155.24 -84.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 69' ' ' ARG . 6.1 m 52.51 163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.9 p -75.88 148.68 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.3 t-80 -46.27 -27.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.06 -41.64 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' THR . 44.6 mm-40 -60.24 -63.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.34 -48.29 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 72' ' ' HIS . 85.2 t -60.66 -52.43 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -55.72 -21.24 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.92 -39.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.688 HD23 ' CG2' ' A' ' 62' ' ' VAL . 10.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' H ' ' A' ' 86' ' ' VAL . 26.5 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.802 ' H ' HD12 ' A' ' 85' ' ' LEU . 44.1 t -124.87 101.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.5 mm? -78.11 119.08 21.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -93.6 108.28 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.36 138.31 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.836 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -97.09 118.65 33.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.447 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 42.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -108.49 150.61 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -142.67 112.27 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.048 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.79 84.64 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.45 -58.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -63.7 116.36 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 126.31 4.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.98 111.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.52 125.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.62 165.12 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -119.45 108.96 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.776 HG11 HD13 ' A' ' 53' ' ' LEU . 73.7 t -102.18 140.65 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.563 ' C ' HD22 ' A' ' 14' ' ' LEU . 28.1 t -128.92 125.6 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.4 mm? -123.73 131.74 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 146.62 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.52 73.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' HIS . 4.9 tttp -176.33 113.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 67.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -115.94 -46.65 2.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.81 -48.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.43 -117.49 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.892 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -113.94 4.26 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.75 -19.8 48.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.2 p90 -127.52 136.16 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.47 153.29 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 79' ' ' LEU . 7.1 pt -112.39 167.16 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -150.42 168.32 24.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.92 -134.38 11.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.51 146.81 9.28 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -56.67 -22.71 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.42 -20.19 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 -8.83 16.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.17 2.21 64.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.34 166.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.877 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -84.72 -124.35 1.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 36' ' ' GLY . 10.9 mm -131.9 144.82 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.2 m-85 -160.4 152.76 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 55' ' ' VAL . 76.5 t -66.05 130.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.97 -36.87 6.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 9.6 tt -145.03 143.48 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.72 117.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.97 140.35 96.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.97 166.17 29.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 30.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 13.8 p -101.09 177.09 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.4 tp -71.5 -51.87 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.662 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.45 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.4 tp10 -50.78 -28.39 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.63 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CB ' HG13 ' A' ' 12' ' ' VAL . 7.3 mm-40 -71.08 -17.58 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . 122.31 -27.56 6.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -39.82 153.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -170.94 147.46 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 39' ' ' VAL . 5.2 t -53.57 102.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.85 40.18 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 3.6 m-20 -118.8 172.93 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HG2' HD23 ' A' ' 60' ' ' LEU . 10.0 tt0 -132.41 109.0 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.899 HD13 HG13 ' A' ' 89' ' ' VAL . 15.9 mm -70.51 90.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.928 HD11 ' HB2' ' A' ' 90' ' ' TYR . 35.4 mt -68.4 -47.58 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -135.98 159.38 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 85' ' ' LEU . 1.2 p -143.47 112.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 79.78 -56.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -172.21 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.3 145.04 54.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -99.07 119.28 37.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 19.4 mt -68.1 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.89 -75.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -148.89 89.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.7 m -134.07 154.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -53.96 151.43 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.794 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 t-80 -53.6 -25.88 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.19 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -70.07 -56.51 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.38 -51.27 63.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.9 t -56.16 -52.06 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -53.58 -20.66 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.567 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -90.06 -34.73 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 23' ' ' LEU . 6.1 mt -83.86 -171.82 3.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.513 ' H ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 78.18 178.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.55 136.0 3.79 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.02 48.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mttp 58.34 177.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.767 HD11 HG22 ' A' ' 62' ' ' VAL . 37.2 tp -89.22 145.55 25.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.567 ' H ' HD12 ' A' ' 85' ' ' LEU . 13.2 t -119.93 106.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.695 HD22 ' N ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -85.65 119.22 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.34 110.99 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.899 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -124.39 142.31 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.928 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.3 t80 -99.37 145.9 26.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -129.48 146.84 51.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.658 ' HB2' ' OH ' ' A' ' 90' ' ' TYR . . . -136.52 92.79 2.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.04 154.76 7.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.57 152.59 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -107.47 169.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.1 p -83.57 133.36 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.88 -143.88 15.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.96 5.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t -154.98 -48.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -111.8 -54.71 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 124.54 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.38 151.64 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.51 174.33 19.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -153.35 128.73 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 -69.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.39 -128.65 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.69 106.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.6 t -74.05 124.7 31.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.29 164.78 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.74 104.02 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.858 HG11 HD13 ' A' ' 53' ' ' LEU . 74.3 t -94.6 145.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.4 t -128.13 130.32 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD11 ' N ' ' A' ' 48' ' ' ALA . 2.8 mm? -126.24 159.95 31.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 168.19 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 4.5 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.63 120.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HG3' ' CD2' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -177.07 57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 51.49 51.37 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -154.6 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.37 -60.02 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.599 ' O ' ' CE1' ' A' ' 20' ' ' HIS . . . -155.3 -149.36 5.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -39.82 -39.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.16 -0.45 22.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 30.4 p90 -139.11 133.94 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.65 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 pt -114.19 161.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -144.07 171.38 14.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 -153.83 17.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.27 138.12 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 t -58.65 -33.97 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -55.51 -36.0 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.99 -26.76 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.68 -7.88 27.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.03 172.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -91.22 -123.59 2.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 36' ' ' GLY . 8.8 mm -131.22 145.65 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 79.7 m-85 -159.45 150.38 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 42' ' ' VAL . 61.3 t -60.73 136.62 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -111.24 -35.55 5.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.1 tm? -148.93 148.31 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.779 ' H ' HD22 ' A' ' 41' ' ' LEU . 41.4 t -136.47 123.26 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.46 141.46 95.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 158.94 42.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.28 33.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.2 p -103.76 172.81 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.5 tp -67.2 -52.27 43.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -42.8 -59.26 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.83 -40.15 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -62.93 -35.24 79.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.773 ' CB ' HG13 ' A' ' 12' ' ' VAL . 19.7 mm-40 -68.01 -24.63 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 125.5 -17.39 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.858 HD13 HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -45.94 158.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 177.28 132.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.2 t -45.06 117.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.95 -32.43 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.8 tt0 -142.56 113.4 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.892 HD13 HG13 ' A' ' 89' ' ' VAL . 16.4 mm -69.6 93.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 90' ' ' TYR . 26.3 mt -72.7 -52.03 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 32.5 mtt180 -131.8 163.26 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -143.54 113.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 10.1 t30 79.61 -62.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -163.87 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.7 161.84 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.7 p -109.81 138.88 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 75' ' ' ALA . 3.0 mt -86.72 47.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 99.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 39.79 82.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.6 m -132.45 149.93 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.7 p -56.77 160.77 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -60.61 -29.74 69.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.3 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 42.1 mm-40 -67.27 -57.52 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -52.93 -50.5 63.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.6 t -53.75 -57.01 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -51.9 -22.06 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.08 -46.23 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt -72.69 77.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.48 164.54 27.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.87 82.56 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' LYS . 3.1 p -108.68 166.66 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -44.71 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 52.3 99.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.76 HD11 HG22 ' A' ' 62' ' ' VAL . 3.4 tp -84.77 110.14 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.69 103.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 122.39 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -97.7 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.892 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -120.74 146.98 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.929 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.1 t80 -103.74 114.55 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 t -91.99 137.28 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -132.78 171.89 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.85 137.03 9.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HB3' HD12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -43.25 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 94' ' ' ARG . 3.9 mp -121.9 112.67 35.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.1 p -115.41 163.33 15.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 74.85 150.79 2.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.62 14.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 m -141.64 119.24 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -90.96 134.56 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 91.69 3.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.46 147.94 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.13 105.9 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -148.59 121.34 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -130.44 156.01 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.5 -118.73 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -175.63 134.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 89' ' ' VAL . 40.3 t -87.29 129.76 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.749 ' CG ' HG23 ' A' ' 89' ' ' VAL . 2.2 ptt180 -94.59 169.79 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -126.07 101.07 6.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.5 t -95.9 143.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -128.78 115.11 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? -115.5 132.56 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -109.53 171.53 7.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -115.17 39.4 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.11 84.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -163.69 40.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 82.57 -58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.03 95.82 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.583 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.94 121.16 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.97 153.76 6.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -60.64 -31.29 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.48 7.59 56.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 8.3 p90 -143.99 131.64 21.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 165.63 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.37 167.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' TYR . 10.4 ptt180 -155.29 166.2 34.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.61 -151.9 18.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.35 148.16 5.6 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -63.4 -28.12 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.45 -28.78 69.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -12.35 32.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.64 82.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.11 165.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.78 -126.41 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 7.4 mm -132.84 146.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 33.2 m-85 -160.11 161.2 33.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.762 HG11 HG23 ' A' ' 42' ' ' VAL . 44.8 t -74.5 137.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -106.84 -26.69 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -153.29 148.52 26.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.813 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.0 t -136.68 119.56 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.96 142.34 97.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.97 163.51 35.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.09 30.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.423 1.077 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 2.2 p -99.52 174.13 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' GLU . 8.4 tp -68.48 -55.28 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.9 -65.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -27.89 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -79.52 -30.45 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LEU . 12.9 mm-40 -77.49 -17.06 58.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.05 7.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.31 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 171.78 145.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.41 113.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.23 -26.7 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.749 ' OD1' HG23 ' A' ' 39' ' ' VAL . 7.3 p-10 -56.28 170.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 10.1 tt0 -128.96 113.31 15.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.78 HD13 ' CG1' ' A' ' 89' ' ' VAL . 8.5 mm -77.44 90.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.944 HD11 ' HB2' ' A' ' 90' ' ' TYR . 24.0 mt -67.05 -62.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 14.5 mtp180 -121.37 168.21 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 62' ' ' VAL . 9.8 p -143.6 113.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.16 -63.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -157.38 -45.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 150.74 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -105.66 129.46 53.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.4 mt -90.48 47.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.97 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 89.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.4 m -136.01 158.47 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -66.75 159.22 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 t-80 -53.21 -33.13 51.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -51.67 45.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.6 mm-40 -52.43 -52.5 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.65 -53.36 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.5 t -55.51 -57.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -52.72 -21.73 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -83.83 -39.92 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.32 -80.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 56.26 -170.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.47 87.31 0.36 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.417 ' C ' ' N ' ' A' ' 84' ' ' LYS . 2.2 m -86.1 159.82 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -27.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 82' ' ' SER . 4.8 ttpt -168.94 93.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD12 ' H ' ' A' ' 86' ' ' VAL . 15.8 tp -88.2 143.46 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' H ' HD12 ' A' ' 85' ' ' LEU . 33.8 t -111.04 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.638 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.5 mm? -78.87 118.87 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.2 m -96.36 106.79 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.78 ' CG1' HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -125.03 149.55 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.944 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.8 t80 -98.56 109.49 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 t -86.71 142.57 28.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 90' ' ' TYR . . . -152.69 171.43 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.86 78.0 0.11 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 63.76 163.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 tp -92.35 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 p -45.43 -60.3 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -147.39 157.51 27.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.03 113.22 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 t -76.91 94.54 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -163.04 170.53 17.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -120.61 -61.08 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.24 -162.65 27.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -179.12 163.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 110.009 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.96 155.19 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.31 122.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' SER . 5.7 tp10 -159.99 129.31 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 90' ' ' TYR . 26.5 t -77.46 131.3 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.705 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.2 ptp180 -103.03 169.74 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.31 102.01 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 53' ' ' LEU . 70.7 t -94.79 141.14 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 p -128.84 121.47 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 47' ' ' LEU . 4.4 mm? -113.77 128.22 56.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -84.97 166.48 16.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -48.09 154.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -166.31 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.663 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -110.67 -28.74 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 81.33 -73.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 13.9 p-80 -73.71 83.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 51.59 98.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.03 80.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -108.86 23.41 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.37 45.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 p90 -129.91 130.89 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.84 164.2 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.02 158.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.66 171.86 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.18 -154.94 18.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.68 135.58 3.92 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.61 -28.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.66 -59.51 3.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -19.55 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.71 42.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.25 171.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.9 -125.95 1.74 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 12.4 mm -131.08 145.55 35.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 79.8 m-85 -157.93 151.55 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG11 HG23 ' A' ' 42' ' ' VAL . 23.2 t -63.31 136.05 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 p -113.81 -30.89 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.5 tm? -146.69 148.21 31.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.8 t -136.53 120.36 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.91 137.9 94.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.95 160.74 39.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.43 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.6 p -100.78 176.87 5.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 14' ' ' LEU . 7.8 tt -67.71 -51.43 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.648 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.12 -68.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.87 -22.79 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -33.03 39.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.671 ' CG ' HD23 ' A' ' 47' ' ' LEU . 17.6 mm-40 -78.45 -11.51 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.31 -18.85 20.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -44.89 160.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.849 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.76 155.47 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.11 118.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.94 -26.48 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.43 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 9.4 tt0 -138.51 110.15 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 12.7 mm -73.8 83.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.0 mt -60.13 -60.94 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.1 mtm180 -112.89 162.85 15.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.954 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.8 p -140.83 113.85 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 t30 70.23 -62.99 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -157.42 -45.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -67.27 157.49 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.3 p -111.13 123.57 50.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -83.68 50.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.56 -58.51 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -142.91 80.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 29.6 m -136.14 154.13 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -60.15 176.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 76' ' ' VAL . 12.2 t-80 -71.51 -35.11 70.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.26 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.5 mm-40 -56.11 -59.36 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.01 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 72' ' ' HIS . 90.7 t -58.44 -60.15 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -20.87 28.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.491 ' CB ' HG11 ' A' ' 62' ' ' VAL . . . -85.5 -24.79 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.7 mt -72.21 -62.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 174.52 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 65.55 2.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.43 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -76.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -82.21 98.91 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD21 HD23 ' A' ' 79' ' ' LEU . 3.7 tp -93.85 113.09 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 85' ' ' LEU . 42.7 t -98.2 101.13 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.633 HD23 HD23 ' A' ' 14' ' ' LEU . 1.5 mm? -74.03 121.36 20.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -95.42 104.66 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -118.58 147.8 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.914 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.3 t80 -101.69 126.25 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 8.6 t -77.4 138.51 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -151.78 164.06 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.32 77.26 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -58.5 -38.87 78.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.1 tt -135.34 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.84 120.72 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.23 177.48 38.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.04 37.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -172.61 51.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -41.82 132.8 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.06 123.85 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m 59.84 162.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.09 76.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.46 165.84 30.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.8 123.38 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.31 -136.52 8.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.565 1.165 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -171.31 128.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 89' ' ' VAL . 50.7 t -123.77 132.3 71.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.638 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.8 ptp180 -94.37 168.33 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -122.47 104.87 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.75 HG13 ' CB ' ' A' ' 51' ' ' GLU . 78.5 t -97.69 144.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.575 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.5 m -127.99 124.9 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.3 mm? -126.13 136.28 52.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -126.2 143.54 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -91.3 87.23 6.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . 167.96 56.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -160.62 38.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 80.59 38.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -173.23 135.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.73 98.76 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 131.85 47.86 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 69.09 -62.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 126.26 -0.02 7.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 29.4 p90 -137.07 135.05 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.86 157.5 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.495 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.3 pt -128.1 165.35 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -149.64 174.63 12.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.09 -157.87 14.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.5 146.42 4.63 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.4 t -65.52 -12.1 49.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.42 -23.32 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.76 0.4 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.45 6.8 88.08 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 164.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.68 -124.81 0.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -133.05 149.91 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 70.7 m-85 -161.02 154.34 21.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG11 HG23 ' A' ' 42' ' ' VAL . 94.8 t -64.17 140.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -42.5 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.3 tm? -146.99 150.71 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.819 ' H ' HD22 ' A' ' 41' ' ' LEU . 3.2 t -136.57 121.81 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.08 140.2 95.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -75.01 166.64 28.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 31.31 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' PRO . 26.2 p -104.29 178.15 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 tp -73.4 -42.36 62.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.831 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.51 -67.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 42' ' ' VAL . 3.6 tp10 -51.02 -26.24 5.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.75 ' CB ' HG13 ' A' ' 12' ' ' VAL . 33.0 mm-40 -75.81 -17.08 59.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.82 -22.52 9.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -44.52 160.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.08 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 79.0 t -51.5 119.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.7 -40.34 1.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.4 170.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.587 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.9 tt0 -127.77 105.99 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.86 HD13 HG13 ' A' ' 89' ' ' VAL . 19.8 mm -67.14 79.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD23 ' HG2' ' A' ' 58' ' ' GLN . 46.4 mt -60.32 -59.56 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 54.8 mtm180 -119.7 166.11 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' HG ' ' A' ' 79' ' ' LEU . 7.5 p -143.43 116.44 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.49 -61.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -160.43 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -67.55 156.35 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -106.16 131.75 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.566 HD13 ' HB1' ' A' ' 75' ' ' ALA . 16.9 mt -92.85 46.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.84 -77.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -132.79 88.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.8 m -135.9 150.67 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.4 p -58.98 156.54 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.83 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 t-80 -55.02 -30.5 59.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.06 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -61.65 -55.45 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -54.28 -47.03 72.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 72' ' ' HIS . 86.9 t -63.5 -39.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -66.1 -17.68 64.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.65 -25.98 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.599 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.2 mt -78.51 55.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.04 -174.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 47.72 -168.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.97 95.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.43 153.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tttt 57.73 88.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.0 tp -92.57 103.02 15.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.5 105.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -79.61 128.26 33.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.3 m -103.11 101.69 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -113.63 150.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 9' ' ' VAL . 1.9 t80 -77.5 124.48 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' GLU . 54.4 p -105.28 141.15 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.85 -177.49 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.54 -87.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 129.74 25.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.77 155.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.77 113.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.39 -155.22 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.83 12.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.53 -171.14 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -148.91 -52.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 132.72 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -159.3 152.38 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.74 148.19 19.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.55 99.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 66.66 117.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.04 116.75 1.08 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -149.87 129.91 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.25 125.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -97.26 167.28 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.51 106.9 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 14' ' ' LEU . 86.0 t -96.84 143.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.616 ' C ' HD22 ' A' ' 14' ' ' LEU . 23.3 t -127.94 123.31 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.816 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.6 mm? -124.13 115.26 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -118.19 120.59 38.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 165.91 128.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.22 119.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 -52.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.47 56.84 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 176.53 157.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.08 87.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.19 160.52 10.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.866 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.16 20.38 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.2 -17.82 54.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -129.68 130.19 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.62 151.75 21.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -117.28 159.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -141.91 171.76 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.42 -154.31 20.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.53 172.05 12.83 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -88.97 43.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.57 -37.65 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -12.64 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.25 43.26 3.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.93 -178.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.81 -130.13 6.86 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 12.7 mm -130.47 144.15 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 64.6 m-85 -157.26 152.13 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.634 ' CG1' HG23 ' A' ' 42' ' ' VAL . 98.9 t -60.27 137.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.25 -39.45 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.052 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 tt -149.55 141.2 23.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.7 t -136.68 119.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 135.1 89.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -21.13 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.28 30.13 8.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 p -113.01 -179.89 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.2 tp -80.4 -46.55 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.816 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.94 -52.82 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.39 -32.86 69.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.7 mttt -73.69 -27.98 61.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 16.9 mm-40 -77.24 -18.78 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 119.93 -24.53 7.86 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -40.8 159.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 0.731 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.94 138.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 40' ' ' SER . 73.1 t -42.9 119.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.43 -36.51 2.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -52.2 -177.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.718 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.8 tt0 -141.78 112.28 7.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.974 HD13 HG13 ' A' ' 89' ' ' VAL . 14.7 mm -70.67 89.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 90' ' ' TYR . 18.3 mt -70.19 -43.88 69.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.2 mtt180 -138.62 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 67' ' ' LEU . 5.1 p -143.6 115.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.5 t30 75.39 -59.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.31 -44.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -71.9 150.27 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 p -94.47 145.3 24.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -90.94 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' ARG . . . -50.09 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER 39.1 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -137.43 143.98 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 p -49.27 147.4 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t-80 -49.95 -30.99 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.05 -35.19 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 41.4 mm-40 -66.45 -56.02 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.32 -53.98 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 61.6 t -55.1 -53.45 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -53.47 -21.62 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.17 -40.38 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.441 HD23 ' CG2' ' A' ' 62' ' ' VAL . 13.7 mt -61.75 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 48.58 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.77 79.03 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.46 179.49 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -82.46 -61.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 71.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.2 tp -93.91 111.87 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 85' ' ' LEU . 24.5 t -101.85 102.17 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 121.15 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 19.7 m -94.85 112.06 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.16 157.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.3 t80 -119.47 128.93 54.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t -106.79 159.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.08 158.68 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.55 107.3 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 133.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.97 140.03 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -150.07 -59.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 83.06 177.83 52.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.83 23.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.78 -58.42 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.42 144.79 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 70.58 -61.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 1' ' ' GLY . 61.1 m -45.49 140.98 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.73 88.85 0.49 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 164.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.019 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -140.17 112.79 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.13 118.24 3.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -134.89 84.7 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 0.805 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.61 125.18 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.82 164.7 12.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.34 105.13 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.607 HG11 HD13 ' A' ' 53' ' ' LEU . 65.7 t -95.06 144.98 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.458 ' C ' HD22 ' A' ' 14' ' ' LEU . 13.5 p -128.57 123.28 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.1 mm? -121.86 111.96 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -133.57 111.8 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 1.2 mtt180 163.87 86.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.24 131.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.44 -47.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.2 29.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.4 138.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.91 150.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.56 -134.5 5.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.85 -34.17 77.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.29 -7.22 28.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 20.1 p90 -131.01 133.93 46.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 154.28 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pt -118.44 165.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -148.25 158.99 44.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.13 -153.37 17.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.1 145.66 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -60.25 -32.55 71.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.89 -17.85 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.27 -25.06 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.83 7.92 49.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.17 163.61 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.83 -131.34 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 5.7 mm -130.46 148.49 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 41.5 m-85 -162.42 156.85 21.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG11 HG23 ' A' ' 42' ' ' VAL . 41.4 t -82.1 132.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.502 ' HA ' HG23 ' A' ' 55' ' ' VAL . 3.7 p -115.88 -13.08 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.8 tm? -153.58 141.48 20.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -137.0 125.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 128.59 93.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.42 37.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.33 23.42 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -105.07 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -71.14 -53.44 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.672 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.11 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -49.49 -33.23 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.57 -32.56 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' LEU . 19.3 mm-40 -72.59 -18.64 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.03 -11.19 22.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.607 HD13 HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -53.58 166.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.773 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 166.64 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.502 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -38.91 144.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.66 -32.98 6.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CG ' ' NH2' ' A' ' 10' ' ' ARG . 22.0 m-20 -57.91 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' A' ' 60' ' ' LEU . 10.4 tt0 -138.81 110.85 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.923 HD13 HG13 ' A' ' 89' ' ' VAL . 16.9 mm -71.65 78.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 90' ' ' TYR . 36.7 mt -54.17 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.2 mtt180 -117.03 166.89 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 HD21 ' A' ' 67' ' ' LEU . 8.8 p -143.32 111.34 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 75.51 -58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -166.08 -46.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.37 157.39 37.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.4 p -103.86 143.44 32.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 75' ' ' ALA . 4.9 mt -87.65 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 90.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' LEU . 46.3 mtt180 42.69 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.3 m -136.41 150.47 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.4 p -57.7 150.88 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 t-80 -51.11 -29.7 14.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.4 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -66.08 -56.88 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.28 -51.2 46.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 84.3 t -56.16 -61.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -21.97 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -84.83 -30.69 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 85' ' ' LEU . 4.4 mt -68.02 -54.49 18.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -76.33 164.24 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.15 146.27 11.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.51 114.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -55.32 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.6 tttt 40.79 84.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.63 ' HG ' HD11 ' A' ' 87' ' ' LEU . 1.7 tp -92.9 105.53 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -96.32 109.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.63 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.56 121.15 27.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 1.9 m -97.61 106.75 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.923 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -121.24 142.63 36.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.9 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.6 t80 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.2 t -101.79 148.22 25.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.46 164.85 20.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.31 103.08 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -48.95 122.36 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 tt -59.07 -35.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.0 t 179.96 133.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.42 158.92 17.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.81 20.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.71 124.04 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 135.9 49.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.27 157.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -42.81 152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.98 -79.96 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -92.76 165.47 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -115.79 167.93 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.36 124.91 2.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 94' ' ' ARG . 3.4 mt-10 -151.19 90.27 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.86 124.48 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.0 163.09 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.02 106.41 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.4 t -94.53 142.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -128.75 120.15 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.8 mm? -118.19 148.83 41.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.55 114.0 22.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.9 tmm_? -86.85 67.81 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . 178.55 64.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.698 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 6.1 mttt -147.35 -80.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 162.25 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ALA . 52.2 m80 -37.6 138.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.603 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLY . 6.9 mt-10 -48.43 107.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 24' ' ' GLY . . . 36.14 85.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER 48.81 22.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 22' ' ' GLY . . . 86.76 -30.07 4.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 4.9 p90 -117.88 126.72 52.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.24 160.83 16.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 pt -122.1 163.13 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -146.95 175.71 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -139.2 16.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.05 155.35 12.79 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 70' ' ' VAL . 2.0 t -47.28 -24.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.1 -46.1 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 1.57 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.34 77.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.92 163.6 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.32 -132.41 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.489 HG13 HD13 ' A' ' 67' ' ' LEU . 9.9 mm -131.26 134.3 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 69.3 m-85 -144.83 153.6 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 HG23 ' A' ' 42' ' ' VAL . 58.6 t -64.24 138.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.458 ' C ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -110.34 -39.66 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.793 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.1 tm? -144.71 149.76 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.793 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.0 t -136.66 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.96 139.35 95.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.04 163.24 35.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.8 31.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PRO . 17.7 p -101.25 177.59 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.95 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.32 -49.86 38.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.99 -66.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.5 -32.9 13.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -71.31 -31.91 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ALA . 13.5 mm-40 -72.47 -21.05 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.99 -18.57 8.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -48.58 163.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.755 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 168.22 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' C ' ' A' ' 40' ' ' SER . 79.1 t -40.49 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.5 -44.08 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.74 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 8.6 tt0 -138.53 111.98 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.955 HD13 HG13 ' A' ' 89' ' ' VAL . 14.0 mm -68.41 85.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 90' ' ' TYR . 23.0 mt -64.45 -56.46 14.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 66.2 mtt180 -123.13 164.66 18.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 62' ' ' VAL . 5.4 p -143.42 107.67 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.62 -57.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -167.19 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 141.94 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.0 p -92.85 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 HG11 ' A' ' 62' ' ' VAL . 9.6 mt -90.28 48.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -40.56 -72.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -143.63 81.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 25.7 m -126.5 151.38 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -64.68 159.14 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.8 t-80 -55.73 -31.83 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.79 -32.04 71.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -71.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -46.84 -45.19 20.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 72' ' ' HIS . 95.5 t -62.45 -54.64 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.31 -19.92 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -87.32 -42.58 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 23' ' ' LEU . 2.6 mt -43.63 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HB2' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.63 -171.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.9 -71.37 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -178.64 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -80.42 -99.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 111.78 2.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.0 tp -97.83 108.39 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 85' ' ' LEU . 54.2 t -96.13 107.73 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -80.07 121.8 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -95.96 105.15 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.955 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -116.35 153.29 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.839 ' HB2' HD11 ' A' ' 60' ' ' LEU . 8.9 t80 -122.69 116.7 24.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 t -91.3 159.88 15.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.75 68.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.16 101.74 2.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -60.23 169.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.797 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -128.2 170.35 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -104.62 -63.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.45 159.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.24 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -59.24 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.9 p -96.31 138.85 33.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -159.48 131.19 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.33 138.16 38.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.49 158.49 7.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.59 133.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 143.31 40.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.14 -129.86 1.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -167.12 90.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.13 128.08 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.738 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.9 ptt180 -94.49 169.68 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.0 mt -125.09 103.09 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 53' ' ' LEU . 54.5 t -96.42 144.44 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 p -129.2 120.0 25.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 23' ' ' LEU . 3.8 mm? -115.12 111.7 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.34 171.88 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' ND1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER 56.82 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CB ' ' HA2' ' A' ' 81' ' ' GLY . . . -126.95 64.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -49.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.77 43.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 16' ' ' ARG . 56.2 m80 -127.81 43.05 3.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.33 36.42 16.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 23' ' ' LEU . . . 45.63 92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER 69.34 -57.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.89 -8.09 4.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -131.64 143.47 50.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.62 143.22 28.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 pt -105.64 168.29 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.57 175.84 13.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.67 -143.48 16.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.23 157.42 9.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -63.67 -28.87 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.35 -43.14 74.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -15.93 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 -3.16 59.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.36 164.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -81.16 -125.44 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 36' ' ' GLY . 17.0 mm -129.86 142.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 61.3 m-85 -159.86 152.98 21.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 57' ' ' ASP . 45.7 t -75.64 136.71 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.471 ' C ' HG22 ' A' ' 55' ' ' VAL . 24.4 p -111.13 -19.47 12.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' VAL . 9.0 tt -153.24 148.73 27.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.2 t -136.63 117.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.02 136.96 94.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 166.6 28.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.5 30.93 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.8 p -105.79 177.57 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.4 tp -70.0 -55.21 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.21 -62.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.25 -26.56 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -77.11 -33.32 56.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CB ' HG13 ' A' ' 12' ' ' VAL . 9.5 mm-40 -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.62 -18.18 15.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.688 HD13 HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -40.84 155.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.18 140.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.471 HG22 ' C ' ' A' ' 40' ' ' SER . 32.8 t -46.26 112.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.06 -28.84 2.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 39' ' ' VAL . 3.7 p-10 -49.75 172.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HG2' HD23 ' A' ' 60' ' ' LEU . 9.3 tt0 -137.68 112.69 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.748 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -75.88 99.16 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 mt -80.88 -44.33 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 75.7 mtt180 -133.65 165.62 24.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 ' HB1' ' A' ' 78' ' ' ALA . 8.7 p -143.49 117.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 71.0 -60.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.63 -45.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -68.93 157.27 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -102.57 148.99 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 75' ' ' ALA . 12.3 mt -94.09 43.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.66 96.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 42.69 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.77 136.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.5 p -47.77 156.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 t-80 -56.83 -31.03 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.58 69.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.21 -62.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.227 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -45.28 -45.72 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.8 t -57.35 -53.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.84 -20.95 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.736 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -86.58 -48.6 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.07 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 47.42 -162.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA2' ' CB ' ' A' ' 17' ' ' ALA . . . -114.56 49.76 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 158.33 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -86.04 133.74 33.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.4 tttp 57.81 62.5 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' H ' ' A' ' 86' ' ' VAL . 33.7 tp -85.84 136.82 33.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.427 ' H ' HD12 ' A' ' 85' ' ' LEU . 15.0 t -109.14 106.17 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -83.99 119.63 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 2.5 m -93.87 110.55 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.23 146.24 32.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.92 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.5 t80 -98.81 122.12 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t -99.68 156.13 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.11 115.4 23.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.58 4.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.74 169.14 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.61 159.06 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 p -88.37 161.07 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.82 143.89 16.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.58 9.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 t -130.09 154.26 47.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 t 64.23 148.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -106.02 -59.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.68 151.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.14 122.28 1.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -149.91 -60.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -60.06 160.88 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.37 -119.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -143.76 79.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.08 125.66 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.65 163.85 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -120.5 108.46 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 14' ' ' LEU . 76.8 t -102.23 141.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -127.41 112.38 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.1 mm? -108.89 123.3 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.35 171.71 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 67.24 124.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.03 -168.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -175.01 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 162.31 -29.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 4.4 p-80 -87.11 103.16 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.51 -68.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 89.43 150.57 23.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.77 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER 74.41 -53.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.95 -4.05 6.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.77 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 41.9 p90 -130.95 138.12 49.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 142.83 27.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 79' ' ' LEU . 40.8 pt -107.8 165.44 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -147.86 176.2 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.658 ' N ' ' HE ' ' A' ' 28' ' ' ARG . . . 90.53 -146.95 18.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.39 155.02 8.35 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -61.64 -33.41 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.57 -26.07 67.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -93.28 -21.69 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.92 -2.45 44.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.53 168.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -83.57 -121.89 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 36' ' ' GLY . 5.5 mm -132.35 147.42 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 54.0 m-85 -162.25 155.39 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' VAL . 40.7 t -82.08 131.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.526 ' HA ' HG23 ' A' ' 55' ' ' VAL . 24.9 p -116.84 -13.02 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.3 tm? -153.74 141.82 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.799 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.7 t -137.08 126.08 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.01 137.6 94.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.67 30.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.4 p -104.66 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.9 tp -67.82 -50.55 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -46.03 -65.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.58 -41.76 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -62.78 -33.22 74.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.7 mm-40 -72.23 -16.45 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 -13.54 24.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -50.31 165.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.6 mtt180 166.82 134.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.16 145.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.67 -30.75 8.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.74 179.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' HD23 ' A' ' 60' ' ' LEU . 10.2 tt0 -135.53 109.11 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.835 HD13 HG13 ' A' ' 89' ' ' VAL . 6.7 mm -68.54 80.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.7 mt -57.13 -60.59 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -125.12 162.42 24.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.796 HG22 HD11 ' A' ' 85' ' ' LEU . 9.8 p -143.51 114.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 22.0 t30 81.68 -58.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -72.74 163.28 28.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 m -105.91 140.47 38.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD21 ' CG1' ' A' ' 62' ' ' VAL . 20.9 mt -97.84 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -67.25 116.37 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.62 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 68' ' ' ALA . 24.0 m -144.45 145.59 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.0 p -57.7 147.32 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 t-80 -48.51 -28.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.607 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.03 -40.01 71.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 22.6 mm-40 -59.05 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -49.67 -50.86 41.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 72' ' ' HIS . 99.6 t -55.85 -53.2 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -52.71 -21.47 4.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.74 -34.89 12.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 27' ' ' ILE . 2.1 mt -86.45 47.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -78.51 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 167.05 177.4 38.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.54 -178.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -43.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.72 107.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 62' ' ' VAL . 12.2 tp -79.99 118.62 21.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 t -94.45 106.31 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.736 HD22 ' N ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -90.61 119.45 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.37 110.58 23.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -125.12 141.87 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.869 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.4 t80 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.588 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 42.7 p -106.35 149.55 26.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.801 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -163.73 68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.82 146.87 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -93.54 142.87 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.52 123.85 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -57.71 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.95 151.82 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 m -119.92 -60.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.71 127.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.27 119.23 38.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -174.29 102.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.54 129.91 2.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.47 165.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.83 136.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.4 98.54 2.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -134.64 118.61 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 6.8 t -115.8 161.83 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.44 145.34 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -97.26 102.5 14.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CB ' ' A' ' 51' ' ' GLU . 50.8 t -94.02 148.02 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.38 126.37 40.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.5 mm? -117.45 167.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 157.85 35.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -50.77 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.52 142.33 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.68 50.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 50.09 40.47 21.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 6.6 p-80 -121.66 -48.13 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 20' ' ' HIS . 3.3 mt-10 -135.44 -61.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 92.54 58.24 1.37 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 68.79 -61.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 135.25 -9.05 4.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -129.1 132.72 47.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.67 141.24 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.71 160.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -145.79 175.34 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.29 -152.21 17.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.5 141.42 4.45 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 p -58.64 -24.68 61.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -57.06 -36.42 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -19.47 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.96 -2.99 41.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -107.46 151.35 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.37 -122.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.8 mm -132.95 148.99 31.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 82.5 m-85 -158.18 163.83 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' HG23 ' A' ' 42' ' ' VAL . 41.3 t -77.21 139.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' HG22 ' A' ' 55' ' ' VAL . 75.8 p -115.86 -35.85 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -143.85 146.5 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.753 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 t -136.67 123.01 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.14 140.51 95.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 158.29 42.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.92 30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 9.0 p -96.46 -175.86 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.2 tp -73.74 -54.39 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.651 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.92 -38.14 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -34.94 79.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.3 mm-40 -73.96 -24.61 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.4 -22.55 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -41.96 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.647 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER 172.71 133.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 40' ' ' SER . 69.8 t -40.23 119.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.34 -37.91 1.9 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.15 -179.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.559 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 9.3 tt0 -138.57 116.31 11.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 89' ' ' VAL . 15.1 mm -74.2 94.95 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 90' ' ' TYR . 29.3 mt -71.16 -52.05 21.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -122.52 164.61 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.942 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -142.48 111.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.24 -63.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' VAL . 48.0 t0 -155.26 -46.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.33 155.02 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.6 p -109.53 130.16 55.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.942 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -87.77 47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.12 22.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.54 77.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 31.5 m -132.42 154.68 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.8 p -64.07 166.16 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 t-160 -63.09 -29.28 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.94 71.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 30.2 mm-40 -64.27 -65.32 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.54 -50.85 9.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.1 t -57.93 -56.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -57.04 -21.28 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -90.25 -21.93 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 85' ' ' LEU . 9.7 mt -70.81 -50.83 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -70.85 163.72 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.77 -171.55 49.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.04 173.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 -78.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 124.05 43.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 HD23 ' A' ' 79' ' ' LEU . 1.1 tp -95.38 109.61 21.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.516 ' N ' HD12 ' A' ' 85' ' ' LEU . 52.4 t -97.15 109.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.2 119.78 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.2 m -101.94 100.0 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.32 150.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.707 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.9 t80 -106.26 117.44 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t -125.53 124.53 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -100.79 168.13 9.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.91 -106.64 0.65 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.15 165.93 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -110.9 162.37 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.69 164.34 27.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 177.88 115.67 0.45 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.46 42.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.0 130.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.76 81.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -123.8 97.77 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -164.0 168.01 19.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.99 -166.4 11.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -148.9 145.23 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 110.016 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -103.38 152.63 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.86 121.42 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -153.36 129.48 10.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 89' ' ' VAL . 25.1 t -76.81 126.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.696 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -97.08 169.72 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.2 mt -125.03 101.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 14' ' ' LEU . 62.4 t -95.51 143.62 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.83 119.48 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 110.041 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.652 HD11 ' H ' ' A' ' 48' ' ' ALA . 3.7 mm? -117.64 113.77 22.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -99.87 165.03 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 3.6 tpp180 -101.9 170.87 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . 174.77 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -173.37 48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLU . . . -109.24 86.44 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -62.0 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.554 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 2.0 mm-40 -175.49 -62.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 125.17 94.35 0.99 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 69.54 -56.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 134.77 -8.01 4.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.9 p90 -132.72 133.59 43.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.54 139.75 30.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.84 158.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -142.08 170.8 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.83 -158.55 16.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.3 135.39 3.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 p -42.07 -35.41 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -56.74 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -22.14 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -4.21 39.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.8 m -105.27 172.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -87.57 -128.1 2.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -129.72 145.38 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.7 m-85 -159.02 153.93 24.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.666 ' CG1' HG23 ' A' ' 42' ' ' VAL . 61.4 t -70.59 134.34 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -111.88 -28.97 7.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 42' ' ' VAL . 3.2 tm? -152.63 141.03 20.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.78 118.88 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 132.0 91.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.01 -20.81 16.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 30.34 9.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.2 p -114.52 177.94 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 3.8 tp -77.76 -52.2 9.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.652 ' H ' HD11 ' A' ' 14' ' ' LEU . . . -40.4 -59.86 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -47.9 -44.02 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -69.78 -29.73 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.02 -22.31 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.0 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -40.5 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.38 141.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.9 t -44.83 120.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.63 -42.62 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -48.69 175.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 9.2 tt0 -137.88 116.1 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.957 HD13 HG13 ' A' ' 89' ' ' VAL . 16.2 mm -69.63 85.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 27.9 mt -64.57 -44.18 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.4 mtm180 -137.27 168.6 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.539 ' CG2' HD23 ' A' ' 79' ' ' LEU . 7.4 p -143.25 111.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.51 -62.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -158.26 -46.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -68.92 144.09 54.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 p -97.7 141.56 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.7 mt -97.59 44.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.14 -58.65 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.82 88.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.4 m -136.12 145.71 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -54.66 157.13 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.721 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -53.92 -37.62 64.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -51.01 -53.13 36.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 72' ' ' HIS . 59.5 t -56.24 -55.06 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -55.57 -22.91 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -81.98 -44.32 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.795 ' O ' HD22 ' A' ' 85' ' ' LEU . 10.8 mt -56.93 -44.59 82.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -44.09 -43.64 7.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 40.25 -151.75 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -136.41 -76.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -167.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -40.04 124.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.5 tp -86.22 106.02 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.97 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 123.84 27.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.5 m -100.26 100.97 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.957 HG13 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -116.52 154.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.4 t80 -109.14 118.66 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -90.54 158.84 16.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.8 106.95 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.26 -97.42 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.5 138.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.7 tt -119.7 -46.9 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.33 148.93 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -137.54 -96.16 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.18 23.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.49 122.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.8 t -172.48 119.26 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.22 87.67 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -143.42 152.38 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.07 178.52 25.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.0 168.4 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 p -55.86 166.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.48 -131.04 0.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -174.52 54.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.237 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -73.1 163.51 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.27 147.89 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.23 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 53' ' ' LEU . 48.6 t -93.95 147.68 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.596 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.4 m -128.42 128.49 44.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm? -129.36 112.67 14.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.28 159.58 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.42 91.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.39 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.85 101.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -58.72 7.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -69.77 64.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.72 ' CD ' HG13 ' A' ' 76' ' ' VAL . 14.9 tp10 63.59 137.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.18 96.68 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -109.71 23.83 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.0 -27.33 9.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.9 p90 -119.54 134.89 55.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 158.1 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 79' ' ' LEU . 10.5 pt -118.17 168.3 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -151.51 172.99 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.4 -134.53 13.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.69 174.4 19.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -63.29 -21.06 66.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.05 -25.54 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.69 -5.04 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.74 -2.72 87.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -104.94 -175.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.96 -126.51 4.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 mm -131.76 120.2 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 77.4 m-85 -131.52 143.39 50.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 55' ' ' VAL . 84.0 t -58.09 137.23 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' HG22 ' A' ' 55' ' ' VAL . 26.9 p -114.24 -42.37 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.7 tt -138.3 149.31 45.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.818 ' N ' HD23 ' A' ' 41' ' ' LEU . 9.7 t -136.58 119.51 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.94 139.41 95.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.1 Cg_endo -74.98 165.99 30.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.16 29.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.9 p -99.43 170.55 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.0 tp -70.63 -48.53 54.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.732 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -49.02 -56.0 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.36 -34.05 68.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -73.02 -32.31 65.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LEU . 44.4 mm-40 -70.12 -21.59 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.74 -21.49 5.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.4 166.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.683 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 165.61 137.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 38.1 t -44.07 110.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.43 -40.48 1.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -53.98 172.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 5.7 tt0 -136.49 118.52 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.944 HD13 HG13 ' A' ' 89' ' ' VAL . 15.7 mm -71.84 109.92 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -92.76 -29.62 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -149.21 158.59 44.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 85' ' ' LEU . 6.3 p -143.55 110.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 81.71 -57.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -168.84 -46.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -67.9 160.13 29.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.8 p -106.33 139.88 40.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.13 43.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.74 -60.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -153.39 93.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.8 m -136.31 154.29 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.7 p -60.56 145.05 50.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.3 t-80 -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -50.56 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 24.0 mm-40 -49.29 -61.37 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -47.8 -54.33 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 98.5 t -52.84 -57.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.31 -23.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -89.7 -48.09 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 23' ' ' LEU . 7.5 mt -53.39 -27.26 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 149.82 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.04 156.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.88 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 42.84 81.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt 62.93 134.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 62' ' ' VAL . 28.3 tp -127.83 136.02 50.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.82 109.73 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -83.69 119.46 24.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -98.83 104.07 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.944 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -115.28 139.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.7 t80 -92.82 124.53 36.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 10' ' ' ARG . 60.6 p -94.7 149.29 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.52 92.63 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.49 172.49 27.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.15 143.61 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.9 tt -112.32 149.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -108.41 133.87 51.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -148.7 -179.18 24.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.63 42.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.19 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.57 128.26 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -127.14 138.82 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -107.0 130.47 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.58 131.64 9.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -76.14 -59.37 2.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.29 138.18 58.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.02 129.96 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -160.47 96.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 89' ' ' VAL . 77.3 t -74.23 127.1 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' CG ' HG23 ' A' ' 89' ' ' VAL . 7.4 ptp180 -98.89 169.84 9.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD22 ' CG1' ' A' ' 86' ' ' VAL . 21.8 mt -123.21 105.12 9.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.625 HG11 HD13 ' A' ' 53' ' ' LEU . 72.8 t -97.42 141.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -127.12 113.43 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? -109.59 129.62 55.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -116.89 164.36 14.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 79.67 123.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.51 167.74 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 7.1 tttt -170.96 -84.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 163.4 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.77 -53.67 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.64 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' OE2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.88 67.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.63 -130.4 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.732 HD11 HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -45.95 -40.7 10.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.22 -3.16 16.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 12.2 p90 -133.58 132.89 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 150.09 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 3.3 pt -113.94 159.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -145.82 175.98 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.3 -121.61 5.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 83.74 166.93 41.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -48.43 -45.26 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' A' ' 72' ' ' HIS . 12.9 pt-20 -47.7 -39.8 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 -32.07 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.642 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.18 24.85 6.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.79 HG13 ' N ' ' A' ' 36' ' ' GLY . 1.4 p -137.47 -150.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 0.794 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.79 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -106.1 -122.33 4.96 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 10.1 mm -133.54 117.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 35' ' ' VAL . 22.3 m-85 -123.9 150.75 44.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' CG1' HG23 ' A' ' 42' ' ' VAL . 24.9 t -78.95 128.75 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.446 ' C ' HG22 ' A' ' 55' ' ' VAL . 12.7 p -101.0 -40.7 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -139.36 148.8 43.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.776 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 t -135.43 129.42 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' OE2' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -70.54 123.03 88.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.27 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.43 24.15 1.55 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 p -105.19 -170.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 tp -74.77 -56.22 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -45.92 -65.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -26.85 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 46' ' ' SER . 7.7 mttp -79.23 -29.28 42.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' ALA . 26.1 mm-40 -74.6 -14.91 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' C ' ' NH1' ' A' ' 10' ' ' ARG . . . 118.15 -23.11 9.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.625 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -40.21 155.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' C ' ' A' ' 40' ' ' SER . 48.2 t -44.77 113.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.28 -38.16 1.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.36 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.501 ' HG2' HD23 ' A' ' 60' ' ' LEU . 50.9 tt0 -140.07 110.94 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.876 HD13 HG13 ' A' ' 89' ' ' VAL . 21.5 mm -68.93 81.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.2 mt -54.74 -58.76 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -124.0 170.53 10.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -142.99 112.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 4.4 t-20 70.32 -61.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -159.46 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 149.89 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.374 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' HD13 ' A' ' 67' ' ' LEU . 80.3 p -104.99 123.51 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -84.61 50.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.83 -55.32 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.27 78.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -131.12 150.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.3 p -56.6 161.41 2.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.694 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.0 t-80 -62.91 -23.9 67.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.56 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -33.76 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 23.2 mm-40 -61.05 -67.56 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -41.02 -51.97 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.3 t -56.53 -56.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -55.32 -22.28 18.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.0 -23.45 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.732 HD22 HD11 ' A' ' 23' ' ' LEU . 2.7 mt -71.6 -80.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? 47.78 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.9 68.8 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -179.36 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 82.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt 66.58 90.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.787 HD12 ' N ' ' A' ' 86' ' ' VAL . 3.6 tp -83.41 131.34 35.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.787 ' N ' HD12 ' A' ' 85' ' ' LEU . 39.5 t -102.32 101.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.8 mm? -75.6 121.49 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -94.01 102.03 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.882 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -113.53 156.06 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.963 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.8 t80 -116.81 149.06 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -129.71 155.01 46.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.684 ' HB2' ' OH ' ' A' ' 90' ' ' TYR . . . -155.44 97.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.83 171.64 13.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 151.5 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.9 mt -122.73 103.68 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.55 165.79 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.01 -165.75 27.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 152.3 40.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.051 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 p -167.2 120.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.5 159.02 39.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -93.05 104.17 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -178.43 105.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.07 151.71 32.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.85 167.79 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.18 162.38 41.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.36 -119.61 3.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 171.26 156.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 0.718 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.0 t -112.11 130.05 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.55 165.79 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.18 106.28 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -98.67 143.7 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 14' ' ' LEU . 15.8 t -128.29 125.05 38.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.3 mm? -122.29 154.65 37.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -81.16 168.84 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -78.23 57.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HA ' ' CD2' ' A' ' 20' ' ' HIS . . . 65.22 152.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -171.52 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.77 29.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -152.41 -173.61 4.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.06 67.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.11 -110.28 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.936 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -114.07 0.09 14.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.42 -26.81 12.47 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE1' HD12 ' A' ' 23' ' ' LEU . 29.4 p90 -117.45 132.02 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 142.52 27.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 pt -104.73 164.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -151.81 163.34 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.63 -134.1 11.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.73 164.84 16.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -77.13 55.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -128.43 -43.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -17.19 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.31 40.95 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.3 m -129.77 -142.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -138.69 -124.61 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 75' ' ' ALA . 6.6 mm -132.91 101.61 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' A' ' 58' ' ' GLN . 92.7 m-85 -120.78 151.37 39.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 42' ' ' VAL . 21.5 t -65.06 147.66 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p -116.82 -38.98 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.4 tm? -146.34 143.49 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.4 t -136.58 119.09 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.93 129.1 94.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 -20.29 16.93 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.35 32.43 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 p -117.15 -178.55 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 47' ' ' LEU . 3.6 tp -80.67 -46.73 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.634 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.42 -57.45 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -52.21 -37.91 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' LEU . 11.9 mm-40 -74.13 -20.51 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 121.7 -24.14 7.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -43.8 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.36 157.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 70.4 t -61.59 118.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.87 2.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -52.96 -179.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.741 ' OE1' HD23 ' A' ' 60' ' ' LEU . 1.2 tm0? -141.42 118.44 11.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 89' ' ' VAL . 17.1 mm -75.08 86.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -62.67 -54.03 45.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 5.9 mtt180 -124.72 170.15 11.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.971 ' HB ' HD21 ' A' ' 67' ' ' LEU . 3.1 p -143.36 107.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 68.29 -66.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -147.53 -45.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -66.66 160.79 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 127.89 54.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.971 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.8 46.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.15 98.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 57.05 66.98 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 10.4 m -132.6 138.76 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -44.77 164.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.4 t-80 -61.46 -39.9 92.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.08 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -53.9 -65.18 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.28 -51.43 62.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 72' ' ' HIS . 78.9 t -51.29 -58.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.19 -24.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.686 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -89.87 -43.16 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.5 mt -67.23 94.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' C ' HD22 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.98 -100.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 82' ' ' SER . . . -132.66 -113.61 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLY . 2.3 t 84.0 69.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 42.1 83.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt 62.54 110.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 86' ' ' VAL . 1.2 tp -82.55 111.88 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.9 t -98.37 103.16 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -79.06 123.76 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -99.16 111.91 24.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.946 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -129.37 149.48 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.898 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -107.59 144.4 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 90' ' ' TYR . 7.5 t -94.83 145.29 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.752 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -150.44 54.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.73 156.44 6.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.2 tpp180 -72.14 -34.47 68.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.7 mm 65.42 -77.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ARG . 6.4 t 75.14 144.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.924 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.89 157.9 27.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.11 36.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -87.95 -57.64 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.04 102.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -151.07 106.41 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 63.26 166.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.6 -131.16 1.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.69 -63.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -136.69 127.41 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . 162.08 134.05 1.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 167.62 109.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m -73.19 162.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.752 ' CG ' HG23 ' A' ' 89' ' ' VAL . 4.3 ptp180 -104.46 169.58 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 10' ' ' ARG . 16.7 mt -122.68 101.91 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 75.7 t -97.87 140.42 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -127.36 117.13 21.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 87' ' ' LEU . 4.2 mm? -111.28 125.07 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 171.36 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 168.92 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.21 69.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -160.57 -44.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 83.59 32.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -59.0 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . 1.3 mt-10 -38.85 -50.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.09 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -104.72 28.59 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 -18.35 36.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.1 p90 -123.83 135.39 53.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.47 169.78 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 9.4 pt -128.95 166.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -149.65 169.2 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.74 -134.64 13.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 104.19 179.51 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 36.1 t -62.05 -156.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 31' ' ' SER . 3.5 tp10 66.81 -68.77 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -68.52 -40.27 80.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 44.38 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 30' ' ' GLY . 12.0 m -140.56 152.48 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -74.64 -136.0 0.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 19.7 mm -124.54 149.06 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 33.5 m-85 -162.06 159.3 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 42' ' ' VAL . 41.8 t -88.96 135.27 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.56 ' HA ' HG23 ' A' ' 55' ' ' VAL . 6.7 t -118.04 -11.18 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.647 HD13 ' C ' ' A' ' 41' ' ' LEU . 2.2 tm? -153.82 141.37 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.1 t -137.28 125.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.83 133.45 94.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 164.71 32.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.28 29.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PRO . 6.7 p -106.14 -178.82 3.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.3 tp -69.38 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.01 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.484 ' OE1' HG11 ' A' ' 42' ' ' VAL . 1.8 tp10 -50.4 -28.69 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 tttp -74.37 -33.72 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 47' ' ' LEU . 62.2 mm-40 -75.17 -14.57 60.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.55 -19.02 24.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -42.71 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.784 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 172.04 137.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.04 146.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.2 -15.66 54.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.57 170.81 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 10.0 tt0 -127.82 110.32 12.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.89 HD13 HG13 ' A' ' 89' ' ' VAL . 10.4 mm -75.26 88.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' A' ' 90' ' ' TYR . 11.7 mt -70.39 -43.92 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 15.5 mtt85 -133.34 157.64 44.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.628 ' CG2' HD23 ' A' ' 79' ' ' LEU . 5.9 p -139.38 112.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.13 -57.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 -43.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -69.78 158.79 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.0 p -104.0 140.15 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -104.44 47.43 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.05 -70.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.77 94.04 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 17.6 m -138.71 144.47 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 p -46.02 164.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -65.5 -30.41 71.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.16 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 27.1 mm-40 -67.07 -62.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -47.17 -47.75 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 66.4 t -58.78 -54.74 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.08 -20.96 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -85.87 -37.08 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 23' ' ' LEU . 9.3 mt -52.61 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 169.12 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.03 159.05 30.46 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.4 m 64.01 145.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.6 tttm 42.15 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.7 tp -86.55 104.23 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.48 100.69 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 14' ' ' LEU . 1.1 mm? -74.11 130.29 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 4.3 m -105.09 113.34 26.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.89 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.64 134.47 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.85 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.4 t80 -83.1 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -108.83 146.19 34.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.07 111.75 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.8 154.45 0.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 140.38 57.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.45 134.28 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -130.05 167.11 18.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.27 132.79 4.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.95 6.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.1 t -139.66 -58.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.4 m 52.22 100.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.85 158.49 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.64 107.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.83 -139.72 4.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -94.15 161.9 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 169.55 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.46 137.72 5.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -147.83 116.51 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.6 129.71 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.635 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -94.55 169.82 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -120.96 110.61 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.943 HG11 HD13 ' A' ' 53' ' ' LEU . 48.3 t -105.7 141.98 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.511 ' C ' HD22 ' A' ' 14' ' ' LEU . 4.3 p -129.37 124.16 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.915 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.5 mm? -121.7 129.96 53.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.34 130.78 48.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' CD ' ' NE2' ' A' ' 20' ' ' HIS . 1.9 ttm-85 169.8 117.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.84 116.14 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -166.57 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.59 27.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' A' ' 16' ' ' ARG . 31.7 p-80 -147.3 151.39 36.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.585 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.0 155.14 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.16 155.33 22.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.34 18.5 22.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.75 -24.43 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.946 ' CE1' HD12 ' A' ' 23' ' ' LEU . 22.1 p90 -123.5 137.33 54.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 146.38 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.86 164.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -149.69 175.53 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -137.69 13.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.4 151.76 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.4 p -64.72 -22.83 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.51 -15.54 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.27 9.01 49.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.52 178.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.13 -127.37 5.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 5.9 mm -125.46 134.92 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG ' ' A' ' 58' ' ' GLN . 99.0 m-85 -152.38 146.89 25.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 42' ' ' VAL . 36.2 t -61.9 140.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 55' ' ' VAL . 7.6 p -114.71 -36.5 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 41' ' ' LEU . 1.1 tm? -148.06 141.79 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.634 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.6 t -136.87 117.97 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.4 mt-10 -67.68 136.68 92.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.95 -19.43 17.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.85 33.76 5.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.5 p -120.8 156.1 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 14' ' ' LEU . 10.4 tt -61.1 -35.7 77.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.915 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -53.81 -49.02 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 3.0 tm-20 -66.09 -21.73 66.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.24 -33.22 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.576 ' CG ' HD23 ' A' ' 47' ' ' LEU . 13.7 mm-40 -73.17 -7.51 51.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 106.81 -18.42 37.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.943 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -42.28 162.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.71 156.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' C ' ' A' ' 40' ' ' SER . 55.8 t -61.14 117.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.24 -39.84 1.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.17 167.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.565 ' CG ' ' CE1' ' A' ' 38' ' ' TYR . 9.2 tt0 -129.67 114.36 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 89' ' ' VAL . 19.5 mm -72.27 101.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 90' ' ' TYR . 28.8 mt -81.2 -54.0 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -124.41 164.03 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 78' ' ' ALA . 4.9 p -142.68 112.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 73.13 -59.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.73 -44.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 154.95 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -102.83 144.72 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -94.52 44.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.01 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 39.64 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.5 m -134.55 150.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.9 p -54.76 155.86 4.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -57.68 -26.31 61.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.627 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.81 -28.48 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 11.3 mm-40 -71.26 -59.06 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -48.48 -49.69 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' HIS . 57.5 t -57.43 -52.02 62.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.67 -21.15 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -90.7 -54.48 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 HD11 ' A' ' 23' ' ' LEU . 12.3 mt -49.21 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.36 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.31 80.79 0.28 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.4 p -104.88 124.03 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 121.06 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 65.61 60.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.682 HD12 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -77.79 105.08 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.584 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.2 t -73.8 123.47 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.639 HD21 ' HG ' ' A' ' 85' ' ' LEU . 22.0 mt -115.1 121.38 42.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -97.65 99.81 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.894 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -111.6 140.0 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.3 t80 -94.58 141.55 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 p -97.78 127.25 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.47 174.08 8.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.25 89.63 0.8 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 151.6 39.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 mt -118.0 109.8 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 166.45 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.28 169.99 13.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.58 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.2 p -158.87 158.36 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.9 p -70.55 134.89 48.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -153.62 103.1 2.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.88 145.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.12 151.91 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.4 126.31 52.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.66 136.87 49.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.57 129.43 2.28 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -178.29 116.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 90' ' ' TYR . 3.8 m -73.94 150.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -101.51 157.4 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.1 mt -108.28 101.74 10.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 83.7 t -94.49 140.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.7 m -128.26 116.6 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.72 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.9 mm? -115.87 145.87 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.528 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 16.5 ttp180 -149.73 -63.47 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 16' ' ' ARG . . . 73.91 -74.4 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 6.7 tptt -147.28 -75.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -140.22 36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -85.65 65.99 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.637 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.1 tt0 69.64 140.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -64.55 76.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.085 HD11 HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER 68.23 -59.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 156.95 -22.95 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.15 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 54.1 p90 -117.02 148.75 41.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 134.97 41.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 79' ' ' LEU . 8.1 pt -100.42 164.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -154.68 164.67 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 -149.19 17.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.47 155.96 7.88 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -65.59 -24.88 67.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.07 -31.63 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -90.03 -13.76 35.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.632 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.75 63.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 177.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.72 -126.42 4.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.2 mm -129.25 150.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 85.4 m-85 -160.92 148.2 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 42' ' ' VAL . 59.4 t -60.42 142.03 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.528 ' C ' HG22 ' A' ' 55' ' ' VAL . 5.9 p -115.18 -37.64 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 42' ' ' VAL . 6.9 tt -147.36 149.23 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' N ' HD23 ' A' ' 41' ' ' LEU . 4.0 t -136.64 120.77 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.56 139.46 96.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.01 163.22 35.75 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.7 29.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PRO . 55.2 p -101.94 174.15 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.9 tp -66.53 -45.31 79.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.72 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.09 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.43 -36.72 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -69.83 -33.89 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.555 ' CB ' HG13 ' A' ' 12' ' ' VAL . 32.4 mm-40 -71.28 -20.49 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.37 -19.55 9.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -46.28 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER 178.56 138.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' SER . 23.3 t -46.82 109.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.01 -37.74 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.7 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.412 ' HG2' HD23 ' A' ' 60' ' ' LEU . 8.9 tt0 -136.42 115.28 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 6.1 mm -75.51 92.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.7 mt -76.96 -53.88 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 14.4 mtm105 -124.21 161.45 25.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 85' ' ' LEU . 1.1 p -142.75 113.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.597 ' ND2' HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER 72.33 -60.38 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.23 -45.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.63 150.45 48.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.0 p -104.11 136.78 43.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.13 46.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.49 -70.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -142.33 91.07 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.3 m -139.17 153.08 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -55.57 161.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 t-80 -60.49 -32.84 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.81 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 12.1 mm-40 -56.12 -63.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -45.03 -52.01 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.9 t -54.55 -59.67 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.39 -24.36 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.73 -30.04 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.085 HD22 HD11 ' A' ' 23' ' ' LEU . 3.2 mt -75.4 58.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.6 177.35 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 171.53 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.96 110.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 136.26 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.85 102.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 HD23 ' A' ' 79' ' ' LEU . 6.3 tp -89.83 133.39 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.708 ' N ' HD12 ' A' ' 85' ' ' LEU . 53.2 t -108.69 105.43 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.2 mm? -79.17 130.21 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 61' ' ' ARG . 22.3 m -105.32 109.9 22.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.94 138.97 53.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.738 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.8 t80 -83.68 152.12 24.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 4.4 t -115.29 139.3 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.98 174.93 5.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.78 94.44 1.53 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.92 -178.21 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.86 29.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.24 136.79 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.7 -142.05 7.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.28 22.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 t -152.14 137.63 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.0 158.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.82 140.01 3.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m 56.65 166.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 -87.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -116.89 160.1 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -144.82 155.91 43.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.41 115.02 1.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.41 68.88 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 89' ' ' VAL . 72.3 t -75.47 139.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.667 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.99 149.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.764 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -101.4 109.5 21.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 14' ' ' LEU . 38.9 t -94.09 146.62 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -128.91 123.53 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.8 mm? -120.38 120.62 36.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -79.43 169.46 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 63.34 90.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.93 107.47 14.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 5.2 mmtt -120.57 -73.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 160.69 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.99 -17.65 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.73 127.95 41.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' PHE . . . -79.3 53.63 4.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER 62.68 12.23 5.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.79 -20.4 48.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 p90 -119.58 138.24 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 1.8 t -89.12 171.72 9.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 20.5 pt -134.56 170.71 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -157.64 174.8 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.53 -133.15 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.84 160.15 11.82 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -66.15 -30.06 70.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.82 -14.95 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -108.87 -10.45 15.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.14 26.72 39.48 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 m -128.51 166.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.7 -128.36 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 67' ' ' LEU . 8.9 mm -133.28 142.12 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 20.3 m-85 -157.66 168.06 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 42' ' ' VAL . 24.6 t -86.59 139.99 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.535 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.22 -21.31 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.931 HD12 ' N ' ' A' ' 42' ' ' VAL . 3.0 tp -152.46 145.79 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.931 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 t -135.81 129.43 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 mm-40 -70.61 140.32 86.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 159.16 41.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 37.11 33.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' PRO . 36.8 p -101.05 178.85 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.4 tp -70.75 -54.22 12.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -41.33 -63.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -48.83 -38.16 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -70.99 -32.6 69.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 28.5 mm-40 -73.31 -21.65 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.16 -26.44 5.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -40.59 154.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.7 140.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 40' ' ' SER . 5.7 t -45.3 100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.89 -24.0 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.5 p-10 -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.47 ' HG2' HD23 ' A' ' 60' ' ' LEU . 62.6 tt0 -143.29 110.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.935 HD13 HG13 ' A' ' 89' ' ' VAL . 10.9 mm -78.34 105.23 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.953 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.6 mt -84.08 -44.79 13.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -132.18 165.42 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.001 HG11 ' HB1' ' A' ' 78' ' ' ALA . 9.8 p -139.03 113.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.1 t30 72.1 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -158.6 -45.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -67.47 149.75 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.29 127.85 50.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -57.98 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 55.21 59.59 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.04 104.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.2 m -148.77 146.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' GLU . 62.7 p -42.94 143.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.9 t-80 -49.14 -26.18 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.62 -38.96 53.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.9 mm-40 -60.98 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 37' ' ' ILE . . . -40.47 -49.76 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.7 t -55.53 -55.63 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -52.24 -22.02 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.001 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.31 -41.24 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HG ' HG21 ' A' ' 62' ' ' VAL . 3.0 mt -82.87 66.97 8.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 178.89 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.01 147.52 8.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER 174.98 152.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.983 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' SER . 1.3 tptm 57.39 108.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.6 tp -91.06 103.51 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t -96.37 107.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.639 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -81.24 119.04 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -92.4 101.02 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.935 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.49 156.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.953 ' HB2' HD11 ' A' ' 60' ' ' LEU . 6.0 t80 -110.58 145.84 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -132.08 159.07 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB2' ' OH ' ' A' ' 90' ' ' TYR . . . -157.34 151.19 24.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.28 150.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 138.82 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.2 pt -116.03 162.59 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.36 155.57 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.32 173.63 27.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.26 7.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.51 167.5 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.3 m -97.24 166.49 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -176.99 155.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.971 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 171.43 17.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.16 160.38 20.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.122 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.3 159.76 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -108.26 170.79 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.35 130.38 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -147.16 90.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.07 125.38 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.68 165.1 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 86' ' ' VAL . 31.0 mt -120.1 102.77 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 53' ' ' LEU . 51.7 t -94.71 144.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -128.97 122.82 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 47' ' ' LEU . 3.4 mm? -117.36 168.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.56 171.8 12.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER 63.32 133.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB3' ' H ' ' A' ' 81' ' ' GLY . . . 175.02 124.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 2.9 tttt -178.02 50.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 83.74 -59.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -79.0 111.36 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 68.15 106.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -124.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -105.33 25.78 10.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.34 -21.86 26.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -123.31 135.21 54.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 158.69 16.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 4.6 pt -118.73 165.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HA ' ' HE2' ' A' ' 72' ' ' HIS . 9.8 ptt180 -144.24 175.97 9.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.82 -136.87 14.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.11 145.86 8.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -46.38 -39.9 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -45.39 -44.9 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -26.25 39.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.582 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.94 21.17 12.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.15 172.46 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.15 -150.21 7.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.174 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 69' ' ' ARG . 19.6 mm -119.23 126.19 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 51.2 m-85 -140.56 167.4 22.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -73.26 136.72 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.48 -45.56 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.9 tt -143.21 153.15 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -136.69 118.09 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.3 145.97 99.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.11 23.2 1.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -94.48 166.13 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 14' ' ' LEU . 5.5 tt -64.24 -52.2 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -39.72 -49.31 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.99 -43.32 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.5 mttm -58.79 -38.2 78.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.713 ' HG2' HD23 ' A' ' 47' ' ' LEU . 9.0 mm-40 -73.96 -8.0 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 104.5 -21.86 35.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -39.22 151.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.639 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 179.55 145.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 40' ' ' SER . 53.9 t -46.51 115.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.3 -44.21 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 77.6 m-20 -47.45 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.607 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 9.1 tt0 -133.84 109.42 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -69.6 84.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.6 mt -65.33 -54.7 25.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 7.8 mtt85 -124.65 166.0 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HD23 ' A' ' 79' ' ' LEU . 4.3 p -143.63 106.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 83.3 -51.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.9 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.16 137.72 55.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -92.51 122.49 34.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.722 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 19.3 mt -72.26 -65.38 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . 85.84 -45.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.814 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -155.24 -84.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 69' ' ' ARG . 6.1 m 52.51 163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.9 p -75.88 148.68 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.3 t-80 -46.27 -27.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.06 -41.64 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' THR . 44.6 mm-40 -60.24 -63.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.34 -48.29 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 72' ' ' HIS . 85.2 t -60.66 -52.43 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -55.72 -21.24 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.92 -39.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.688 HD23 ' CG2' ' A' ' 62' ' ' VAL . 10.3 mt -72.64 91.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.28 137.92 21.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.519 ' H ' ' HB3' ' A' ' 17' ' ' ALA . . . -52.8 -80.4 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.49 -79.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 84' ' ' LYS . 17.3 mttt -140.06 96.82 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER 33.71 89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' H ' ' A' ' 86' ' ' VAL . 26.5 tp -76.88 151.46 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.802 ' H ' HD12 ' A' ' 85' ' ' LEU . 44.1 t -124.87 101.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.616 HD22 ' N ' ' A' ' 87' ' ' LEU . 1.5 mm? -78.11 119.08 21.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -93.6 108.28 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.36 138.31 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.836 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -97.09 118.65 33.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.447 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 42.1 t -99.96 133.02 44.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 90' ' ' TYR . . . -145.56 178.09 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -48.2 101.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.64 134.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 tt -138.02 146.29 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.5 p -178.49 150.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 80.17 152.66 8.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.14 2.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -153.77 152.37 30.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 p -111.42 108.75 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.62 165.12 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -119.45 108.96 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.776 HG11 HD13 ' A' ' 53' ' ' LEU . 73.7 t -102.18 140.65 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.563 ' C ' HD22 ' A' ' 14' ' ' LEU . 28.1 t -128.92 125.6 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.4 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.892 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.75 -19.8 48.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.2 p90 -127.52 136.16 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.47 153.29 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 79' ' ' LEU . 7.1 pt -112.39 167.16 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -150.42 168.32 24.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.92 -134.38 11.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.51 146.81 9.28 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -56.67 -22.71 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.42 -20.19 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 -8.83 16.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.17 2.21 64.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.34 166.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.877 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -84.72 -124.35 1.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 36' ' ' GLY . 10.9 mm -131.9 144.82 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.2 m-85 -160.4 152.76 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 55' ' ' VAL . 76.5 t -66.05 130.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.97 -36.87 6.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 9.6 tt -145.03 143.48 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.72 117.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.97 140.35 96.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.97 166.17 29.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 30.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 13.8 p -101.09 177.09 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.4 tp -71.5 -51.87 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.662 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.45 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.4 tp10 -50.78 -28.39 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.63 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CB ' HG13 ' A' ' 12' ' ' VAL . 7.3 mm-40 -71.08 -17.58 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . 122.31 -27.56 6.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -39.82 153.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -170.94 147.46 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 39' ' ' VAL . 5.2 t -53.57 102.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.85 40.18 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 3.6 m-20 -118.8 172.93 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HG2' HD23 ' A' ' 60' ' ' LEU . 64.2 tt0 -132.41 109.0 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.899 HD13 HG13 ' A' ' 89' ' ' VAL . 15.9 mm -70.51 90.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.928 HD11 ' HB2' ' A' ' 90' ' ' TYR . 35.4 mt -68.4 -47.58 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -135.98 159.38 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 85' ' ' LEU . 1.2 p -143.47 112.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t-20 79.78 -56.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -172.21 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.3 145.04 54.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -99.07 119.28 37.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 19.4 mt -68.1 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.89 -75.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -148.89 89.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.7 m -134.07 154.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -53.96 151.43 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.794 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 t-80 -53.6 -25.88 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.19 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -70.07 -56.51 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.38 -51.27 63.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.9 t -56.16 -52.06 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -53.58 -20.66 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.567 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -90.06 -34.73 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 23' ' ' LEU . 6.1 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.767 HD11 HG22 ' A' ' 62' ' ' VAL . 37.2 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.567 ' H ' HD12 ' A' ' 85' ' ' LEU . 13.2 t -119.93 106.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.695 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -85.65 119.22 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.34 110.99 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.899 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -124.39 142.31 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.928 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.3 t80 -99.37 145.9 26.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.6 t . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.29 164.78 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.74 104.02 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.858 HG11 HD13 ' A' ' 53' ' ' LEU . 74.3 t -94.6 145.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.4 t -128.13 130.32 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD11 ' N ' ' A' ' 48' ' ' ALA . 2.8 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.16 -0.45 22.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 30.4 p90 -139.11 133.94 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.65 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 pt -114.19 161.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -144.07 171.38 14.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 -153.83 17.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.27 138.12 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 t -58.65 -33.97 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -55.51 -36.0 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.99 -26.76 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.68 -7.88 27.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.03 172.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -91.22 -123.59 2.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 36' ' ' GLY . 8.8 mm -131.22 145.65 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 79.7 m-85 -159.45 150.38 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 42' ' ' VAL . 61.3 t -60.73 136.62 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -111.24 -35.55 5.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.1 tm? -148.93 148.31 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.779 ' H ' HD22 ' A' ' 41' ' ' LEU . 41.4 t -136.47 123.26 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.46 141.46 95.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 158.94 42.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.28 33.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.2 p -103.76 172.81 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.5 tp -67.2 -52.27 43.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -42.8 -59.26 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.83 -40.15 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -62.93 -35.24 79.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.773 ' CB ' HG13 ' A' ' 12' ' ' VAL . 19.7 mm-40 -68.01 -24.63 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 125.5 -17.39 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.858 HD13 HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -45.94 158.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 177.28 132.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.2 t -45.06 117.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.95 -32.43 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 60' ' ' LEU . 64.4 tt0 -142.56 113.4 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.892 HD13 HG13 ' A' ' 89' ' ' VAL . 16.4 mm -69.6 93.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 90' ' ' TYR . 26.3 mt -72.7 -52.03 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 32.5 mtt180 -131.8 163.26 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -143.54 113.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 4.3 t-20 79.61 -62.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -163.87 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.7 161.84 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.7 p -109.81 138.88 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 75' ' ' ALA . 3.0 mt -86.72 47.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 99.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 39.79 82.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.6 m -132.45 149.93 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.7 p -56.77 160.77 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -60.61 -29.74 69.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.3 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 42.1 mm-40 -67.27 -57.52 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -52.93 -50.5 63.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.6 t -53.75 -57.01 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -51.9 -22.06 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.08 -46.23 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.76 HD11 HG22 ' A' ' 62' ' ' VAL . 3.4 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.69 103.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 122.39 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -97.7 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.892 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -120.74 146.98 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.929 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.1 t80 -103.74 114.55 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 89' ' ' VAL . 40.3 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.749 ' CG ' HG23 ' A' ' 89' ' ' VAL . 2.2 ptt180 -94.59 169.79 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -126.07 101.07 6.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.5 t -95.9 143.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -128.78 115.11 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.48 7.59 56.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 8.3 p90 -143.99 131.64 21.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 165.63 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.37 167.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' TYR . 10.4 ptt180 -155.29 166.2 34.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.61 -151.9 18.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.35 148.16 5.6 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -63.4 -28.12 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.45 -28.78 69.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -12.35 32.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.64 82.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.11 165.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.78 -126.41 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 7.4 mm -132.84 146.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 33.2 m-85 -160.11 161.2 33.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.762 HG11 HG23 ' A' ' 42' ' ' VAL . 44.8 t -74.5 137.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -106.84 -26.69 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -153.29 148.52 26.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.813 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.0 t -136.68 119.56 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.96 142.34 97.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.97 163.51 35.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.09 30.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.423 1.077 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 2.2 p -99.52 174.13 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' GLU . 8.4 tp -68.48 -55.28 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.9 -65.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -27.89 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -79.52 -30.45 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LEU . 12.9 mm-40 -77.49 -17.06 58.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.05 7.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.31 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 171.78 145.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.41 113.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.23 -26.7 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.749 ' OD1' HG23 ' A' ' 39' ' ' VAL . 7.3 p-10 -56.28 170.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 47.4 tt0 -128.96 113.31 15.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.78 HD13 ' CG1' ' A' ' 89' ' ' VAL . 8.5 mm -77.44 90.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.944 HD11 ' HB2' ' A' ' 90' ' ' TYR . 24.0 mt -67.05 -62.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 14.5 mtp180 -121.37 168.21 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 62' ' ' VAL . 9.8 p -143.6 113.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.505 HD22 HD13 ' A' ' 85' ' ' LEU . 1.8 t-20 71.16 -63.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -157.38 -45.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 150.74 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -105.66 129.46 53.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.4 mt -90.48 47.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.97 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 89.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.4 m -136.01 158.47 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -66.75 159.22 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 t-80 -53.21 -33.13 51.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -51.67 45.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.6 mm-40 -52.43 -52.5 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.65 -53.36 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.5 t -55.51 -57.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -52.72 -21.73 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -83.83 -39.92 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD12 ' H ' ' A' ' 86' ' ' VAL . 15.8 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.587 ' H ' HD12 ' A' ' 85' ' ' LEU . 33.8 t -111.04 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.638 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mm? -78.87 118.87 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.2 m -96.36 106.79 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.78 ' CG1' HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -125.03 149.55 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.944 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.8 t80 -98.56 109.49 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 90' ' ' TYR . 26.5 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.705 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.2 ptp180 -103.03 169.74 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.31 102.01 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 53' ' ' LEU . 70.7 t -94.79 141.14 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 p -128.84 121.47 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 47' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.788 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.37 45.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 p90 -129.91 130.89 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.84 164.2 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.02 158.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.66 171.86 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.18 -154.94 18.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.68 135.58 3.92 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.61 -28.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.66 -59.51 3.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -19.55 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.71 42.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.25 171.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.9 -125.95 1.74 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 12.4 mm -131.08 145.55 35.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 79.8 m-85 -157.93 151.55 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG11 HG23 ' A' ' 42' ' ' VAL . 23.2 t -63.31 136.05 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 p -113.81 -30.89 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.5 tm? -146.69 148.21 31.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.8 t -136.53 120.36 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.91 137.9 94.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.95 160.74 39.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.43 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.6 p -100.78 176.87 5.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 14' ' ' LEU . 7.8 tt -67.71 -51.43 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.648 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.12 -68.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.87 -22.79 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -33.03 39.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.671 ' CG ' HD23 ' A' ' 47' ' ' LEU . 17.6 mm-40 -78.45 -11.51 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.31 -18.85 20.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -44.89 160.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.849 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.76 155.47 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.11 118.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.94 -26.48 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.43 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.577 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 67.1 tt0 -138.51 110.15 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 12.7 mm -73.8 83.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.0 mt -60.13 -60.94 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.1 mtm180 -112.89 162.85 15.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.954 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.8 p -140.83 113.85 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 70.23 -62.99 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -157.42 -45.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -67.27 157.49 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.3 p -111.13 123.57 50.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -83.68 50.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.56 -58.51 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -142.91 80.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 29.6 m -136.14 154.13 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -60.15 176.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 76' ' ' VAL . 12.2 t-80 -71.51 -35.11 70.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.26 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.5 mm-40 -56.11 -59.36 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.01 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 72' ' ' HIS . 90.7 t -58.44 -60.15 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -20.87 28.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.491 ' CB ' HG11 ' A' ' 62' ' ' VAL . . . -85.5 -24.79 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.7 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD21 HD23 ' A' ' 79' ' ' LEU . 3.7 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 85' ' ' LEU . 42.7 t -98.2 101.13 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.633 HD23 HD23 ' A' ' 14' ' ' LEU . 1.5 mm? -74.03 121.36 20.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -95.42 104.66 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -118.58 147.8 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.914 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.3 t80 -101.69 126.25 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 8.6 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 89' ' ' VAL . 50.7 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.638 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.8 ptp180 -94.37 168.33 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -122.47 104.87 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.75 HG13 ' CB ' ' A' ' 51' ' ' GLU . 78.5 t -97.69 144.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.575 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.5 m -127.99 124.9 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.3 mm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.26 -0.02 7.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 111.049 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 29.4 p90 -137.07 135.05 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.86 157.5 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.495 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.3 pt -128.1 165.35 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -149.64 174.63 12.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.09 -157.87 14.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.5 146.42 4.63 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.4 t -65.52 -12.1 49.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.42 -23.32 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.76 0.4 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.45 6.8 88.08 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 164.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.68 -124.81 0.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -133.05 149.91 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 70.7 m-85 -161.02 154.34 21.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.473 HG11 HG23 ' A' ' 42' ' ' VAL . 94.8 t -64.17 140.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -42.5 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.3 tm? -146.99 150.71 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.819 ' H ' HD22 ' A' ' 41' ' ' LEU . 3.2 t -136.57 121.81 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.08 140.2 95.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -75.01 166.64 28.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 31.31 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' PRO . 26.2 p -104.29 178.15 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 tp -73.4 -42.36 62.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.831 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.51 -67.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 42' ' ' VAL . 3.6 tp10 -51.02 -26.24 5.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.75 ' CB ' HG13 ' A' ' 12' ' ' VAL . 33.0 mm-40 -75.81 -17.08 59.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.82 -22.52 9.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -44.52 160.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.08 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 79.0 t -51.5 119.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.7 -40.34 1.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.4 170.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.587 ' HG2' HD23 ' A' ' 60' ' ' LEU . 65.7 tt0 -127.77 105.99 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.86 HD13 HG13 ' A' ' 89' ' ' VAL . 19.8 mm -67.14 79.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.587 HD23 ' HG2' ' A' ' 58' ' ' GLN . 46.4 mt -60.32 -59.56 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 54.8 mtm180 -119.7 166.11 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' HG ' ' A' ' 79' ' ' LEU . 7.5 p -143.43 116.44 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.49 -61.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -160.43 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -67.55 156.35 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -106.16 131.75 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.566 HD13 ' HB1' ' A' ' 75' ' ' ALA . 16.9 mt -92.85 46.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.84 -77.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -132.79 88.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.8 m -135.9 150.67 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.4 p -58.98 156.54 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.83 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 t-80 -55.02 -30.5 59.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.06 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -61.65 -55.45 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -54.28 -47.03 72.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 72' ' ' HIS . 86.9 t -63.5 -39.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -66.1 -17.68 64.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.65 -25.98 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.599 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.2 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.0 tp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.5 105.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -79.61 128.26 33.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.3 m -103.11 101.69 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -113.63 150.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 9' ' ' VAL . 1.9 t80 -77.5 124.48 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -97.26 167.28 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.51 106.9 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 14' ' ' LEU . 86.0 t -96.84 143.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.616 ' C ' HD22 ' A' ' 14' ' ' LEU . 23.3 t -127.94 123.31 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.816 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.6 mm? . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.866 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.2 -17.82 54.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -129.68 130.19 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.62 151.75 21.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -117.28 159.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -141.91 171.76 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.42 -154.31 20.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.53 172.05 12.83 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -88.97 43.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.57 -37.65 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -12.64 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.25 43.26 3.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.93 -178.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.81 -130.13 6.86 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 12.7 mm -130.47 144.15 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 64.6 m-85 -157.26 152.13 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.634 ' CG1' HG23 ' A' ' 42' ' ' VAL . 98.9 t -60.27 137.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.25 -39.45 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.052 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 tt -149.55 141.2 23.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.7 t -136.68 119.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 135.1 89.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -21.13 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.28 30.13 8.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 p -113.01 -179.89 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 47' ' ' LEU . 3.2 tp -80.4 -46.55 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.816 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.94 -52.82 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.39 -32.86 69.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.7 mttt -73.69 -27.98 61.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 16.9 mm-40 -77.24 -18.78 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 119.93 -24.53 7.86 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -40.8 159.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 0.731 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.94 138.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 40' ' ' SER . 73.1 t -42.9 119.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.43 -36.51 2.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -52.2 -177.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.718 ' HG2' HD23 ' A' ' 60' ' ' LEU . 58.4 tt0 -141.78 112.28 7.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.974 HD13 HG13 ' A' ' 89' ' ' VAL . 14.7 mm -70.67 89.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 90' ' ' TYR . 18.3 mt -70.19 -43.88 69.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.2 mtt180 -138.62 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 67' ' ' LEU . 5.1 p -143.6 115.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 75.39 -59.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.31 -44.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -71.9 150.27 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 p -94.47 145.3 24.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -90.94 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' ARG . . . -50.09 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER 39.1 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -137.43 143.98 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 p -49.27 147.4 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t-80 -49.95 -30.99 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.05 -35.19 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 41.4 mm-40 -66.45 -56.02 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.32 -53.98 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 61.6 t -55.1 -53.45 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -53.47 -21.62 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.17 -40.38 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.441 HD23 ' CG2' ' A' ' 62' ' ' VAL . 13.7 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.2 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 85' ' ' LEU . 24.5 t -101.85 102.17 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 121.15 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 19.7 m -94.85 112.06 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.974 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.16 157.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.3 t80 -119.47 128.93 54.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.82 164.7 12.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.34 105.13 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.607 HG11 HD13 ' A' ' 53' ' ' LEU . 65.7 t -95.06 144.98 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.458 ' C ' HD22 ' A' ' 14' ' ' LEU . 13.5 p -128.57 123.28 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.1 mm? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.29 -7.22 28.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 20.1 p90 -131.01 133.93 46.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 154.28 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pt -118.44 165.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -148.25 158.99 44.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.13 -153.37 17.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.1 145.66 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -60.25 -32.55 71.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.89 -17.85 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.27 -25.06 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.83 7.92 49.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.17 163.61 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.83 -131.34 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 5.7 mm -130.46 148.49 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 41.5 m-85 -162.42 156.85 21.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG11 HG23 ' A' ' 42' ' ' VAL . 41.4 t -82.1 132.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.502 ' HA ' HG23 ' A' ' 55' ' ' VAL . 3.7 p -115.88 -13.08 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.666 ' C ' HD13 ' A' ' 41' ' ' LEU . 1.8 tm? -153.58 141.48 20.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -137.0 125.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 128.59 93.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.42 37.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.33 23.42 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -105.07 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -71.14 -53.44 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.672 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.11 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -49.49 -33.23 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.57 -32.56 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' LEU . 19.3 mm-40 -72.59 -18.64 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.03 -11.19 22.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.607 HD13 HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -53.58 166.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.773 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 166.64 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.502 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -38.91 144.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.66 -32.98 6.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CG ' ' NH2' ' A' ' 10' ' ' ARG . 22.0 m-20 -57.91 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' A' ' 60' ' ' LEU . 53.0 tt0 -138.81 110.85 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.923 HD13 HG13 ' A' ' 89' ' ' VAL . 16.9 mm -71.65 78.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 90' ' ' TYR . 36.7 mt -54.17 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.2 mtt180 -117.03 166.89 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 HD21 ' A' ' 67' ' ' LEU . 8.8 p -143.32 111.34 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 75.51 -58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -166.08 -46.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.37 157.39 37.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.4 p -103.86 143.44 32.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 75' ' ' ALA . 4.9 mt -87.65 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 90.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' LEU . 46.3 mtt180 42.69 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.3 m -136.41 150.47 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.4 p -57.7 150.88 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 t-80 -51.11 -29.7 14.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.4 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -66.08 -56.88 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.28 -51.2 46.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 84.3 t -56.16 -61.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -21.97 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -84.83 -30.69 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 85' ' ' LEU . 4.4 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.63 ' HG ' HD11 ' A' ' 87' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -96.32 109.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.63 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.56 121.15 27.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 1.9 m -97.61 106.75 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.923 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -121.24 142.63 36.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.9 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.6 t80 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.0 163.09 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.02 106.41 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.694 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.4 t -94.53 142.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -128.75 120.15 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.8 mm? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.76 -30.07 4.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 4.9 p90 -117.88 126.72 52.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.24 160.83 16.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 pt -122.1 163.13 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -146.95 175.71 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -139.2 16.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.05 155.35 12.79 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 70' ' ' VAL . 2.0 t -47.28 -24.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.1 -46.1 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 1.57 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.34 77.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.92 163.6 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.32 -132.41 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.489 HG13 HD13 ' A' ' 67' ' ' LEU . 9.9 mm -131.26 134.3 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 69.3 m-85 -144.83 153.6 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 HG23 ' A' ' 42' ' ' VAL . 58.6 t -64.24 138.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.458 ' C ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -110.34 -39.66 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.793 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.1 tm? -144.71 149.76 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.793 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.0 t -136.66 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.96 139.35 95.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.04 163.24 35.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.8 31.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PRO . 17.7 p -101.25 177.59 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.95 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.32 -49.86 38.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.99 -66.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.5 -32.9 13.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -71.31 -31.91 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ALA . 13.5 mm-40 -72.47 -21.05 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.99 -18.57 8.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -48.58 163.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.755 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 168.22 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' C ' ' A' ' 40' ' ' SER . 79.1 t -40.49 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.5 -44.08 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.74 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 66.0 tt0 -138.53 111.98 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.955 HD13 HG13 ' A' ' 89' ' ' VAL . 14.0 mm -68.41 85.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 90' ' ' TYR . 23.0 mt -64.45 -56.46 14.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 66.2 mtt180 -123.13 164.66 18.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 62' ' ' VAL . 5.4 p -143.42 107.67 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER 77.62 -57.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -167.19 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 141.94 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.0 p -92.85 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 HG11 ' A' ' 62' ' ' VAL . 9.6 mt -90.28 48.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -40.56 -72.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -143.63 81.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 25.7 m -126.5 151.38 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -64.68 159.14 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.8 t-80 -55.73 -31.83 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.79 -32.04 71.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -71.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -46.84 -45.19 20.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 72' ' ' HIS . 95.5 t -62.45 -54.64 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.31 -19.92 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -87.32 -42.58 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 23' ' ' LEU . 2.6 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.0 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 85' ' ' LEU . 54.2 t -96.13 107.73 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -80.07 121.8 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -95.96 105.15 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.955 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -116.35 153.29 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.839 ' HB2' HD11 ' A' ' 60' ' ' LEU . 8.9 t80 -122.69 116.7 24.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.738 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.9 ptt180 -94.49 169.68 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.0 mt -125.09 103.09 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 53' ' ' LEU . 54.5 t -96.42 144.44 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 p -129.2 120.0 25.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 23' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.89 -8.09 4.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -131.64 143.47 50.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.62 143.22 28.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 pt -105.64 168.29 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.57 175.84 13.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.67 -143.48 16.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.23 157.42 9.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -63.67 -28.87 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.35 -43.14 74.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -15.93 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 -3.16 59.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.36 164.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -81.16 -125.44 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 36' ' ' GLY . 17.0 mm -129.86 142.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 61.3 m-85 -159.86 152.98 21.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 57' ' ' ASP . 45.7 t -75.64 136.71 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.471 ' C ' HG22 ' A' ' 55' ' ' VAL . 24.4 p -111.13 -19.47 12.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' VAL . 9.0 tt -153.24 148.73 27.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.2 t -136.63 117.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.02 136.96 94.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 166.6 28.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.5 30.93 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.8 p -105.79 177.57 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.4 tp -70.0 -55.21 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.21 -62.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.25 -26.56 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -77.11 -33.32 56.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CB ' HG13 ' A' ' 12' ' ' VAL . 9.5 mm-40 -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.62 -18.18 15.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.688 HD13 HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -40.84 155.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.18 140.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.471 HG22 ' C ' ' A' ' 40' ' ' SER . 32.8 t -46.26 112.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.06 -28.84 2.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 39' ' ' VAL . 3.7 p-10 -49.75 172.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HG2' HD23 ' A' ' 60' ' ' LEU . 57.0 tt0 -137.68 112.69 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.748 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -75.88 99.16 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 mt -80.88 -44.33 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 75.7 mtt180 -133.65 165.62 24.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 ' HB1' ' A' ' 78' ' ' ALA . 8.7 p -143.49 117.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 71.0 -60.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.63 -45.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -68.93 157.27 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -102.57 148.99 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 75' ' ' ALA . 12.3 mt -94.09 43.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.66 96.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 42.69 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.77 136.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.5 p -47.77 156.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 t-80 -56.83 -31.03 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.58 69.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.21 -62.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.227 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -45.28 -45.72 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.8 t -57.35 -53.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.84 -20.95 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.736 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -86.58 -48.6 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' H ' ' A' ' 86' ' ' VAL . 33.7 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.427 ' H ' HD12 ' A' ' 85' ' ' LEU . 15.0 t -109.14 106.17 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -83.99 119.63 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 2.5 m -93.87 110.55 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.23 146.24 32.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.92 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.5 t80 -98.81 122.12 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.65 163.85 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -120.5 108.46 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 14' ' ' LEU . 76.8 t -102.23 141.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -127.41 112.38 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.1 mm? . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.77 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.95 -4.05 6.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.77 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 41.9 p90 -130.95 138.12 49.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 142.83 27.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 79' ' ' LEU . 40.8 pt -107.8 165.44 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -147.86 176.2 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.658 ' N ' ' HE ' ' A' ' 28' ' ' ARG . . . 90.53 -146.95 18.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.39 155.02 8.35 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -61.64 -33.41 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.57 -26.07 67.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -93.28 -21.69 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.92 -2.45 44.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.53 168.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -83.57 -121.89 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 36' ' ' GLY . 5.5 mm -132.35 147.42 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 54.0 m-85 -162.25 155.39 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' VAL . 40.7 t -82.08 131.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.526 ' HA ' HG23 ' A' ' 55' ' ' VAL . 24.9 p -116.84 -13.02 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 41' ' ' LEU . 1.3 tm? -153.74 141.82 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.799 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.7 t -137.08 126.08 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.01 137.6 94.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.67 30.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.4 p -104.66 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.9 tp -67.82 -50.55 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -46.03 -65.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.58 -41.76 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -62.78 -33.22 74.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.7 mm-40 -72.23 -16.45 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 -13.54 24.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -50.31 165.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.6 mtt180 166.82 134.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.16 145.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.67 -30.75 8.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.74 179.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' HD23 ' A' ' 60' ' ' LEU . 63.4 tt0 -135.53 109.11 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.835 HD13 HG13 ' A' ' 89' ' ' VAL . 6.7 mm -68.54 80.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.7 mt -57.13 -60.59 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -125.12 162.42 24.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.796 HG22 HD11 ' A' ' 85' ' ' LEU . 9.8 p -143.51 114.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 5.0 t-20 81.68 -58.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -72.74 163.28 28.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 m -105.91 140.47 38.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 HD21 ' CG1' ' A' ' 62' ' ' VAL . 20.9 mt -97.84 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -67.25 116.37 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.62 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 68' ' ' ALA . 24.0 m -144.45 145.59 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.0 p -57.7 147.32 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 t-80 -48.51 -28.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.607 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.03 -40.01 71.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 22.6 mm-40 -59.05 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -49.67 -50.86 41.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 72' ' ' HIS . 99.6 t -55.85 -53.2 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -52.71 -21.47 4.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.74 -34.89 12.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 27' ' ' ILE . 2.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 62' ' ' VAL . 12.2 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 t -94.45 106.31 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.736 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -90.61 119.45 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.37 110.58 23.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -125.12 141.87 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.869 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.4 t80 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.588 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 42.7 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 6.8 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.44 145.34 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -97.26 102.5 14.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CB ' ' A' ' 51' ' ' GLU . 50.8 t -94.02 148.02 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.38 126.37 40.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.5 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.25 -9.05 4.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -129.1 132.72 47.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.67 141.24 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.71 160.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -145.79 175.34 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.29 -152.21 17.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.5 141.42 4.45 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 p -58.64 -24.68 61.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -57.06 -36.42 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -19.47 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.96 -2.99 41.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -107.46 151.35 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.37 -122.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.8 mm -132.95 148.99 31.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 82.5 m-85 -158.18 163.83 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 HG23 ' A' ' 42' ' ' VAL . 41.3 t -77.21 139.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' HG22 ' A' ' 55' ' ' VAL . 75.8 p -115.86 -35.85 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -143.85 146.5 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.753 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 t -136.67 123.01 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.14 140.51 95.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 158.29 42.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.92 30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 9.0 p -96.46 -175.86 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.2 tp -73.74 -54.39 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.651 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.92 -38.14 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -34.94 79.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.3 mm-40 -73.96 -24.61 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.4 -22.55 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -41.96 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.647 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER 172.71 133.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 40' ' ' SER . 69.8 t -40.23 119.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.34 -37.91 1.9 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.15 -179.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.559 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 65.9 tt0 -138.57 116.31 11.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 89' ' ' VAL . 15.1 mm -74.2 94.95 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 90' ' ' TYR . 29.3 mt -71.16 -52.05 21.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -122.52 164.61 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.942 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -142.48 111.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.24 -63.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' VAL . 48.0 t0 -155.26 -46.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.33 155.02 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.6 p -109.53 130.16 55.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.942 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -87.77 47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.12 22.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.54 77.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 31.5 m -132.42 154.68 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.8 p -64.07 166.16 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 t-160 -63.09 -29.28 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.94 71.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 30.2 mm-40 -64.27 -65.32 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.54 -50.85 9.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.1 t -57.93 -56.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -57.04 -21.28 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -90.25 -21.93 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 85' ' ' LEU . 9.7 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 HD23 ' A' ' 79' ' ' LEU . 1.1 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.516 ' N ' HD12 ' A' ' 85' ' ' LEU . 52.4 t -97.15 109.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.592 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.2 119.78 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.2 m -101.94 100.0 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.32 150.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.707 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.9 t80 -106.26 117.44 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 89' ' ' VAL . 25.1 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.696 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -97.08 169.72 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.2 mt -125.03 101.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 14' ' ' LEU . 62.4 t -95.51 143.62 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.83 119.48 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 110.041 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.652 HD11 ' H ' ' A' ' 48' ' ' ALA . 3.7 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.77 -8.01 4.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.9 p90 -132.72 133.59 43.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.54 139.75 30.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.84 158.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -142.08 170.8 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.83 -158.55 16.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.3 135.39 3.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 p -42.07 -35.41 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -56.74 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -22.14 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -4.21 39.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.8 m -105.27 172.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -87.57 -128.1 2.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -129.72 145.38 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.7 m-85 -159.02 153.93 24.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.666 ' CG1' HG23 ' A' ' 42' ' ' VAL . 61.4 t -70.59 134.34 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -111.88 -28.97 7.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 42' ' ' VAL . 3.2 tm? -152.63 141.03 20.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.78 118.88 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 132.0 91.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.01 -20.81 16.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 30.34 9.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.2 p -114.52 177.94 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 3.8 tp -77.76 -52.2 9.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.652 ' H ' HD11 ' A' ' 14' ' ' LEU . . . -40.4 -59.86 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -47.9 -44.02 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -69.78 -29.73 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.02 -22.31 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.0 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -40.5 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.38 141.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.9 t -44.83 120.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.63 -42.62 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -48.69 175.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 65.7 tt0 -137.88 116.1 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.957 HD13 HG13 ' A' ' 89' ' ' VAL . 16.2 mm -69.63 85.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 27.9 mt -64.57 -44.18 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.4 mtm180 -137.27 168.6 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.539 ' CG2' HD23 ' A' ' 79' ' ' LEU . 7.4 p -143.25 111.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.51 -62.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -158.26 -46.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -68.92 144.09 54.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 p -97.7 141.56 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.7 mt -97.59 44.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.14 -58.65 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.82 88.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.4 m -136.12 145.71 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -54.66 157.13 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.721 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -53.92 -37.62 64.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -51.01 -53.13 36.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 72' ' ' HIS . 59.5 t -56.24 -55.06 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -55.57 -22.91 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -81.98 -44.32 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.795 ' O ' HD22 ' A' ' 85' ' ' LEU . 10.8 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.97 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 123.84 27.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.5 m -100.26 100.97 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.957 HG13 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -116.52 154.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.4 t80 -109.14 118.66 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.27 147.89 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.23 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 53' ' ' LEU . 48.6 t -93.95 147.68 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.596 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.4 m -128.42 128.49 44.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.0 -27.33 9.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.9 p90 -119.54 134.89 55.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 158.1 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 79' ' ' LEU . 10.5 pt -118.17 168.3 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -151.51 172.99 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.4 -134.53 13.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.69 174.4 19.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -63.29 -21.06 66.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.05 -25.54 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.69 -5.04 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.74 -2.72 87.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -104.94 -175.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.96 -126.51 4.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 mm -131.76 120.2 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 77.4 m-85 -131.52 143.39 50.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 55' ' ' VAL . 84.0 t -58.09 137.23 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' HG22 ' A' ' 55' ' ' VAL . 26.9 p -114.24 -42.37 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.7 tt -138.3 149.31 45.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.818 ' N ' HD23 ' A' ' 41' ' ' LEU . 9.7 t -136.58 119.51 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.94 139.41 95.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.1 Cg_endo -74.98 165.99 30.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.16 29.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.9 p -99.43 170.55 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.0 tp -70.63 -48.53 54.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.732 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -49.02 -56.0 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.36 -34.05 68.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -73.02 -32.31 65.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LEU . 44.4 mm-40 -70.12 -21.59 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.74 -21.49 5.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.4 166.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.683 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 165.61 137.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 38.1 t -44.07 110.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.43 -40.48 1.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -53.98 172.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 44.8 tt0 -136.49 118.52 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.944 HD13 HG13 ' A' ' 89' ' ' VAL . 15.7 mm -71.84 109.92 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -92.76 -29.62 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -149.21 158.59 44.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 85' ' ' LEU . 6.3 p -143.55 110.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 81.71 -57.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -168.84 -46.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -67.9 160.13 29.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.8 p -106.33 139.88 40.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.13 43.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.74 -60.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -153.39 93.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.8 m -136.31 154.29 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.7 p -60.56 145.05 50.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.3 t-80 -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -50.56 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 24.0 mm-40 -49.29 -61.37 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -47.8 -54.33 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 98.5 t -52.84 -57.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.31 -23.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -89.7 -48.09 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 23' ' ' LEU . 7.5 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 62' ' ' VAL . 28.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.82 109.73 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -83.69 119.46 24.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -98.83 104.07 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.944 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -115.28 139.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.7 t80 -92.82 124.53 36.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 10' ' ' ARG . 60.6 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 89' ' ' VAL . 77.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.695 ' CG ' HG23 ' A' ' 89' ' ' VAL . 7.4 ptp180 -98.89 169.84 9.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD22 ' CG1' ' A' ' 86' ' ' VAL . 21.8 mt -123.21 105.12 9.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.625 HG11 HD13 ' A' ' 53' ' ' LEU . 72.8 t -97.42 141.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -127.12 113.43 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.601 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.732 HD11 HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.22 -3.16 16.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 12.2 p90 -133.58 132.89 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 150.09 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 3.3 pt -113.94 159.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -145.82 175.98 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.3 -121.61 5.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 83.74 166.93 41.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -48.43 -45.26 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' A' ' 72' ' ' HIS . 12.9 pt-20 -47.7 -39.8 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 -32.07 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.642 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.18 24.85 6.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.79 HG13 ' N ' ' A' ' 36' ' ' GLY . 1.4 p -137.47 -150.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 0.794 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.79 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -106.1 -122.33 4.96 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 10.1 mm -133.54 117.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 35' ' ' VAL . 22.3 m-85 -123.9 150.75 44.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.507 ' CG1' HG23 ' A' ' 42' ' ' VAL . 24.9 t -78.95 128.75 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.446 ' C ' HG22 ' A' ' 55' ' ' VAL . 12.7 p -101.0 -40.7 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -139.36 148.8 43.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.776 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 t -135.43 129.42 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.54 123.03 88.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.27 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.43 24.15 1.55 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 p -105.19 -170.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 tp -74.77 -56.22 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -45.92 -65.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -26.85 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 46' ' ' SER . 7.7 mttp -79.23 -29.28 42.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' ALA . 26.1 mm-40 -74.6 -14.91 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' C ' ' NH1' ' A' ' 10' ' ' ARG . . . 118.15 -23.11 9.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.625 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -40.21 155.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' C ' ' A' ' 40' ' ' SER . 48.2 t -44.77 113.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.28 -38.16 1.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.36 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.501 ' HG2' HD23 ' A' ' 60' ' ' LEU . 50.9 tt0 -140.07 110.94 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.876 HD13 HG13 ' A' ' 89' ' ' VAL . 21.5 mm -68.93 81.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.2 mt -54.74 -58.76 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -124.0 170.53 10.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -142.99 112.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 4.4 t-20 70.32 -61.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -159.46 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 149.89 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.374 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' HD13 ' A' ' 67' ' ' LEU . 80.3 p -104.99 123.51 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -84.61 50.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.83 -55.32 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.27 78.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -131.12 150.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.3 p -56.6 161.41 2.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.694 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.0 t-80 -62.91 -23.9 67.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.56 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -33.76 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 23.2 mm-40 -61.05 -67.56 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -41.02 -51.97 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.3 t -56.53 -56.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -55.32 -22.28 18.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.0 -23.45 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.732 HD22 HD11 ' A' ' 23' ' ' LEU . 2.7 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.787 HD12 ' N ' ' A' ' 86' ' ' VAL . 3.6 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.787 ' N ' HD12 ' A' ' 85' ' ' LEU . 39.5 t -102.32 101.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.8 mm? -75.6 121.49 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -94.01 102.03 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.882 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -113.53 156.06 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.963 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.8 t80 -116.81 149.06 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.978 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.55 165.79 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.18 106.28 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -98.67 143.7 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 14' ' ' LEU . 15.8 t -128.29 125.05 38.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.3 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.936 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.42 -26.81 12.47 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE1' HD12 ' A' ' 23' ' ' LEU . 29.4 p90 -117.45 132.02 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 142.52 27.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 pt -104.73 164.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -151.81 163.34 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.63 -134.1 11.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.73 164.84 16.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -77.13 55.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -128.43 -43.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -17.19 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.31 40.95 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.3 m -129.77 -142.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -138.69 -124.61 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 75' ' ' ALA . 6.6 mm -132.91 101.61 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' A' ' 58' ' ' GLN . 92.7 m-85 -120.78 151.37 39.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 42' ' ' VAL . 21.5 t -65.06 147.66 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p -116.82 -38.98 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.4 tm? -146.34 143.49 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.4 t -136.58 119.09 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.93 129.1 94.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 -20.29 16.93 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.35 32.43 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 p -117.15 -178.55 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 47' ' ' LEU . 3.6 tp -80.67 -46.73 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.634 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.42 -57.45 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -52.21 -37.91 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' LEU . 11.9 mm-40 -74.13 -20.51 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 121.7 -24.14 7.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -43.8 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.36 157.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 70.4 t -61.59 118.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.87 2.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -52.96 -179.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.741 ' OE1' HD23 ' A' ' 60' ' ' LEU . 1.2 tm0? -141.42 118.44 11.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 89' ' ' VAL . 17.1 mm -75.08 86.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -62.67 -54.03 45.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 5.9 mtt180 -124.72 170.15 11.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.971 ' HB ' HD21 ' A' ' 67' ' ' LEU . 3.1 p -143.36 107.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 68.29 -66.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -147.53 -45.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -66.66 160.79 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 127.89 54.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.971 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.8 46.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.15 98.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 57.05 66.98 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 10.4 m -132.6 138.76 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -44.77 164.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.4 t-80 -61.46 -39.9 92.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.08 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -53.9 -65.18 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.28 -51.43 62.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 72' ' ' HIS . 78.9 t -51.29 -58.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.19 -24.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.686 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -89.87 -43.16 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.5 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 86' ' ' VAL . 1.2 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.9 t -98.37 103.16 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -79.06 123.76 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -99.16 111.91 24.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.946 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -129.37 149.48 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.898 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -107.59 144.4 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 90' ' ' TYR . 7.5 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.752 ' CG ' HG23 ' A' ' 89' ' ' VAL . 4.3 ptp180 -104.46 169.58 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 10' ' ' ARG . 16.7 mt -122.68 101.91 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 75.7 t -97.87 140.42 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -127.36 117.13 21.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 87' ' ' LEU . 4.2 mm? . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 -18.35 36.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.1 p90 -123.83 135.39 53.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.47 169.78 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 9.4 pt -128.95 166.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -149.65 169.2 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.74 -134.64 13.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 104.19 179.51 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 36.1 t -62.05 -156.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 31' ' ' SER . 3.5 tp10 66.81 -68.77 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -68.52 -40.27 80.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 44.38 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 30' ' ' GLY . 12.0 m -140.56 152.48 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -74.64 -136.0 0.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 19.7 mm -124.54 149.06 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 33.5 m-85 -162.06 159.3 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 42' ' ' VAL . 41.8 t -88.96 135.27 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.56 ' HA ' HG23 ' A' ' 55' ' ' VAL . 6.7 t -118.04 -11.18 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.647 ' C ' HD13 ' A' ' 41' ' ' LEU . 2.2 tm? -153.82 141.37 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.1 t -137.28 125.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.83 133.45 94.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 164.71 32.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.28 29.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PRO . 6.7 p -106.14 -178.82 3.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.3 tp -69.38 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.01 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.484 ' OE1' HG11 ' A' ' 42' ' ' VAL . 1.8 tp10 -50.4 -28.69 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 tttp -74.37 -33.72 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 47' ' ' LEU . 62.2 mm-40 -75.17 -14.57 60.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.55 -19.02 24.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -42.71 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.784 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 172.04 137.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.04 146.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.2 -15.66 54.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.57 170.81 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 61.2 tt0 -127.82 110.32 12.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.89 HD13 HG13 ' A' ' 89' ' ' VAL . 10.4 mm -75.26 88.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' A' ' 90' ' ' TYR . 11.7 mt -70.39 -43.92 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 15.5 mtt85 -133.34 157.64 44.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.628 ' CG2' HD23 ' A' ' 79' ' ' LEU . 5.9 p -139.38 112.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.13 -57.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 -43.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -69.78 158.79 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.0 p -104.0 140.15 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -104.44 47.43 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.05 -70.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.77 94.04 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 17.6 m -138.71 144.47 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 p -46.02 164.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -65.5 -30.41 71.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.16 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 27.1 mm-40 -67.07 -62.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -47.17 -47.75 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 66.4 t -58.78 -54.74 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.08 -20.96 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -85.87 -37.08 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 23' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.7 tp . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.48 100.69 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 14' ' ' LEU . 1.1 mm? -74.11 130.29 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 4.3 m -105.09 113.34 26.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.89 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.64 134.47 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.85 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.4 t80 -83.1 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.635 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -94.55 169.82 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -120.96 110.61 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.943 HG11 HD13 ' A' ' 53' ' ' LEU . 48.3 t -105.7 141.98 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.511 ' C ' HD22 ' A' ' 14' ' ' LEU . 4.3 p -129.37 124.16 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.915 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.5 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.75 -24.43 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.946 ' CE1' HD12 ' A' ' 23' ' ' LEU . 22.1 p90 -123.5 137.33 54.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 146.38 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.86 164.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -149.69 175.53 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -137.69 13.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.4 151.76 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.4 p -64.72 -22.83 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.51 -15.54 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.27 9.01 49.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.52 178.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.13 -127.37 5.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 5.9 mm -125.46 134.92 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG ' ' A' ' 58' ' ' GLN . 99.0 m-85 -152.38 146.89 25.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 42' ' ' VAL . 36.2 t -61.9 140.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 55' ' ' VAL . 7.6 p -114.71 -36.5 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.756 ' C ' HD13 ' A' ' 41' ' ' LEU . 1.1 tm? -148.06 141.79 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.634 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.6 t -136.87 117.97 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.4 mt-10 -67.68 136.68 92.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.95 -19.43 17.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.85 33.76 5.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.5 p -120.8 156.1 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 14' ' ' LEU . 10.4 tt -61.1 -35.7 77.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.915 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -53.81 -49.02 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 3.0 tm-20 -66.09 -21.73 66.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.24 -33.22 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.576 ' CG ' HD23 ' A' ' 47' ' ' LEU . 13.7 mm-40 -73.17 -7.51 51.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 106.81 -18.42 37.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.943 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -42.28 162.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.71 156.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' C ' ' A' ' 40' ' ' SER . 55.8 t -61.14 117.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.24 -39.84 1.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.17 167.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.565 ' CG ' ' CE1' ' A' ' 38' ' ' TYR . 67.0 tt0 -129.67 114.36 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 89' ' ' VAL . 19.5 mm -72.27 101.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 90' ' ' TYR . 28.8 mt -81.2 -54.0 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -124.41 164.03 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 78' ' ' ALA . 4.9 p -142.68 112.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 73.13 -59.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.73 -44.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 154.95 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -102.83 144.72 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -94.52 44.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.01 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 39.64 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.5 m -134.55 150.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.9 p -54.76 155.86 4.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -57.68 -26.31 61.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.627 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.81 -28.48 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 11.3 mm-40 -71.26 -59.06 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -48.48 -49.69 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' HIS . 57.5 t -57.43 -52.02 62.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.67 -21.15 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -90.7 -54.48 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 HD11 ' A' ' 23' ' ' LEU . 12.3 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.682 ' C ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.584 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.2 t -73.8 123.47 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.639 HD21 ' HG ' ' A' ' 85' ' ' LEU . 22.0 mt -115.1 121.38 42.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -97.65 99.81 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.894 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -111.6 140.0 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.3 t80 -94.58 141.55 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 90' ' ' TYR . 3.8 m . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -101.51 157.4 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.1 mt -108.28 101.74 10.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 83.7 t -94.49 140.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.7 m -128.26 116.6 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.72 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.9 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.085 HD11 HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.95 -22.95 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.15 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 54.1 p90 -117.02 148.75 41.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 134.97 41.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 79' ' ' LEU . 8.1 pt -100.42 164.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -154.68 164.67 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 -149.19 17.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.47 155.96 7.88 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -65.59 -24.88 67.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.07 -31.63 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -90.03 -13.76 35.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.632 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.75 63.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 177.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.72 -126.42 4.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.2 mm -129.25 150.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 85.4 m-85 -160.92 148.2 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 42' ' ' VAL . 59.4 t -60.42 142.03 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.528 ' C ' HG22 ' A' ' 55' ' ' VAL . 5.9 p -115.18 -37.64 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 42' ' ' VAL . 6.9 tt -147.36 149.23 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.554 ' N ' HD23 ' A' ' 41' ' ' LEU . 4.0 t -136.64 120.77 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.56 139.46 96.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.01 163.22 35.75 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.7 29.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PRO . 55.2 p -101.94 174.15 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.9 tp -66.53 -45.31 79.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.72 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.09 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.43 -36.72 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -69.83 -33.89 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.555 ' CB ' HG13 ' A' ' 12' ' ' VAL . 32.4 mm-40 -71.28 -20.49 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.37 -19.55 9.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -46.28 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER 178.56 138.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' SER . 23.3 t -46.82 109.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.01 -37.74 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.7 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 53.5 tt0 -136.42 115.28 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 6.1 mm -75.51 92.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.7 mt -76.96 -53.88 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 14.4 mtm105 -124.21 161.45 25.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 85' ' ' LEU . 1.1 p -142.75 113.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.597 ' ND2' HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER 72.33 -60.38 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.23 -45.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.63 150.45 48.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.0 p -104.11 136.78 43.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.13 46.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.49 -70.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -142.33 91.07 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.3 m -139.17 153.08 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -55.57 161.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 t-80 -60.49 -32.84 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.81 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 12.1 mm-40 -56.12 -63.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -45.03 -52.01 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.9 t -54.55 -59.67 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.39 -24.36 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.73 -30.04 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.085 HD22 HD11 ' A' ' 23' ' ' LEU . 3.2 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 HD23 ' A' ' 79' ' ' LEU . 6.3 tp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.708 ' N ' HD12 ' A' ' 85' ' ' LEU . 53.2 t -108.69 105.43 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.2 mm? -79.17 130.21 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 61' ' ' ARG . 22.3 m -105.32 109.9 22.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.94 138.97 53.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.738 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.8 t80 -83.68 152.12 24.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 4.4 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 89' ' ' VAL . 72.3 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.667 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.99 149.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.764 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -101.4 109.5 21.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 14' ' ' LEU . 38.9 t -94.09 146.62 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -128.91 123.53 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.621 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.8 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.79 -20.4 48.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 p90 -119.58 138.24 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 1.8 t -89.12 171.72 9.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 20.5 pt -134.56 170.71 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -157.64 174.8 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.53 -133.15 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.84 160.15 11.82 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -66.15 -30.06 70.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.82 -14.95 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -108.87 -10.45 15.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.14 26.72 39.48 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 m -128.51 166.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.7 -128.36 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 67' ' ' LEU . 8.9 mm -133.28 142.12 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 20.3 m-85 -157.66 168.06 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 42' ' ' VAL . 24.6 t -86.59 139.99 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.535 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.22 -21.31 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.931 HD12 ' N ' ' A' ' 42' ' ' VAL . 3.0 tp -152.46 145.79 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.931 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 t -135.81 129.43 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 mm-40 -70.61 140.32 86.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 159.16 41.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 37.11 33.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' PRO . 36.8 p -101.05 178.85 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.4 tp -70.75 -54.22 12.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -41.33 -63.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -48.83 -38.16 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -70.99 -32.6 69.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 28.5 mm-40 -73.31 -21.65 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.16 -26.44 5.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -40.59 154.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.7 140.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 40' ' ' SER . 5.7 t -45.3 100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.89 -24.0 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.629 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.5 p-10 -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.47 ' HG2' HD23 ' A' ' 60' ' ' LEU . 62.6 tt0 -143.29 110.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.935 HD13 HG13 ' A' ' 89' ' ' VAL . 10.9 mm -78.34 105.23 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.953 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.6 mt -84.08 -44.79 13.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -132.18 165.42 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.001 HG11 ' HB1' ' A' ' 78' ' ' ALA . 9.8 p -139.03 113.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 72.1 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -158.6 -45.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -67.47 149.75 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.29 127.85 50.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -57.98 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 55.21 59.59 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.04 104.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.2 m -148.77 146.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' GLU . 62.7 p -42.94 143.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.9 t-80 -49.14 -26.18 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.62 -38.96 53.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.9 mm-40 -60.98 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 37' ' ' ILE . . . -40.47 -49.76 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.7 t -55.53 -55.63 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -52.24 -22.02 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.001 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.31 -41.24 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HG ' HG21 ' A' ' 62' ' ' VAL . 3.0 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.6 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t -96.37 107.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.639 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -81.24 119.04 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -92.4 101.02 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.935 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.49 156.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.953 ' HB2' HD11 ' A' ' 60' ' ' LEU . 6.0 t80 -110.58 145.84 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.68 165.1 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 86' ' ' VAL . 31.0 mt -120.1 102.77 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 53' ' ' LEU . 51.7 t -94.71 144.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -128.97 122.82 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 47' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.34 -21.86 26.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -123.31 135.21 54.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 158.69 16.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 4.6 pt -118.73 165.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HA ' ' HE2' ' A' ' 72' ' ' HIS . 9.8 ptt180 -144.24 175.97 9.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.82 -136.87 14.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.11 145.86 8.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -46.38 -39.9 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -45.39 -44.9 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -26.25 39.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.582 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.94 21.17 12.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.15 172.46 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.15 -150.21 7.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.174 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 69' ' ' ARG . 19.6 mm -119.23 126.19 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 51.2 m-85 -140.56 167.4 22.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -73.26 136.72 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.48 -45.56 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.9 tt -143.21 153.15 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -136.69 118.09 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.3 145.97 99.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.11 23.2 1.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -94.48 166.13 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 14' ' ' LEU . 5.5 tt -64.24 -52.2 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -39.72 -49.31 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.99 -43.32 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.5 mttm -58.79 -38.2 78.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.713 ' HG2' HD23 ' A' ' 47' ' ' LEU . 9.0 mm-40 -73.96 -8.0 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 104.5 -21.86 35.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -39.22 151.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.639 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 179.55 145.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 40' ' ' SER . 53.9 t -46.51 115.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.3 -44.21 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 77.6 m-20 -47.45 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.607 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 64.8 tt0 -133.84 109.42 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -69.6 84.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.6 mt -65.33 -54.7 25.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 7.8 mtt85 -124.65 166.0 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HD23 ' A' ' 79' ' ' LEU . 4.3 p -143.63 106.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.8 t-20 83.3 -51.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.9 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.16 137.72 55.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -92.51 122.49 34.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.722 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 19.3 mt -72.26 -65.38 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . 85.84 -45.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.814 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -155.24 -84.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 69' ' ' ARG . 6.1 m 52.51 163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.9 p -75.88 148.68 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.3 t-80 -46.27 -27.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.06 -41.64 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' THR . 44.6 mm-40 -60.24 -63.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.34 -48.29 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 72' ' ' HIS . 85.2 t -60.66 -52.43 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -55.72 -21.24 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.92 -39.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.688 HD23 ' CG2' ' A' ' 62' ' ' VAL . 10.3 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' H ' ' A' ' 86' ' ' VAL . 26.5 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.802 ' H ' HD12 ' A' ' 85' ' ' LEU . 44.1 t -124.87 101.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mm? -78.11 119.08 21.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -93.6 108.28 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.36 138.31 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.836 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -97.09 118.65 33.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.447 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 42.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -108.49 150.61 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -142.67 112.27 6.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.048 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.79 84.64 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.442 1.089 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.45 -58.56 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.2 t -63.7 116.36 5.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 126.31 4.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.98 111.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 110.28 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.52 125.45 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -94.62 165.12 12.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.2 mt -119.45 108.96 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.776 HG11 HD13 ' A' ' 53' ' ' LEU . 73.7 t -102.18 140.65 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.563 ' C ' HD22 ' A' ' 14' ' ' LEU . 28.1 t -128.92 125.6 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.4 mm? -123.73 131.74 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 146.62 52.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.52 73.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' HIS . 4.9 tttp -176.33 113.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.93 67.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -115.94 -46.65 2.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -134.81 -48.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.43 -117.49 1.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.892 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -113.94 4.26 15.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.75 -19.8 48.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CE2' HD12 ' A' ' 23' ' ' LEU . 17.2 p90 -127.52 136.16 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.47 153.29 18.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 79' ' ' LEU . 7.1 pt -112.39 167.16 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -150.42 168.32 24.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.089 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.92 -134.38 11.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.51 146.81 9.28 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -56.67 -22.71 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.42 -20.19 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.36 -8.83 16.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.17 2.21 64.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -112.34 166.35 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.877 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -84.72 -124.35 1.23 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.877 HD13 ' O ' ' A' ' 36' ' ' GLY . 10.9 mm -131.9 144.82 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.2 m-85 -160.4 152.76 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 55' ' ' VAL . 76.5 t -66.05 130.81 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.97 -36.87 6.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 55' ' ' VAL . 9.6 tt -145.03 143.48 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.6 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.72 117.28 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.97 140.35 96.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.97 166.17 29.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 30.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.049 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 13.8 p -101.09 177.09 5.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.4 tp -71.5 -51.87 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.662 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.45 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.4 tp10 -50.78 -28.39 9.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.63 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CB ' HG13 ' A' ' 12' ' ' VAL . 7.3 mm-40 -71.08 -17.58 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' LEU . . . 122.31 -27.56 6.04 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -39.82 153.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -170.94 147.46 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 39' ' ' VAL . 5.2 t -53.57 102.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.85 40.18 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . 3.6 m-20 -118.8 172.93 7.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.522 ' HG2' HD23 ' A' ' 60' ' ' LEU . 64.2 tt0 -132.41 109.0 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.899 HD13 HG13 ' A' ' 89' ' ' VAL . 15.9 mm -70.51 90.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.928 HD11 ' HB2' ' A' ' 90' ' ' TYR . 35.4 mt -68.4 -47.58 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -135.98 159.38 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.767 HG22 HD11 ' A' ' 85' ' ' LEU . 1.2 p -143.47 112.12 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.5 t-20 79.78 -56.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -172.21 -42.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -68.3 145.04 54.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 p -99.07 119.28 37.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 69' ' ' ARG . 19.4 mt -68.1 -63.52 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.89 -75.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -148.89 89.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.7 m -134.07 154.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.5 p -53.96 151.43 6.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.794 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.6 t-80 -53.6 -25.88 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.98 -31.19 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -70.07 -56.51 6.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.38 -51.27 63.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.9 t -56.16 -52.06 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -53.58 -20.66 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.567 ' HB1' ' CG1' ' A' ' 62' ' ' VAL . . . -90.06 -34.73 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.709 HD22 HD11 ' A' ' 23' ' ' LEU . 6.1 mt -83.86 -171.82 3.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.513 ' H ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 78.18 178.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -42.55 136.0 3.79 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.02 48.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 85' ' ' LEU . 3.5 mttp 58.34 177.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.767 HD11 HG22 ' A' ' 62' ' ' VAL . 37.2 tp -89.22 145.55 25.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.567 ' H ' HD12 ' A' ' 85' ' ' LEU . 13.2 t -119.93 106.81 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.695 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -85.65 119.22 25.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.34 110.99 23.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.899 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -124.39 142.31 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.928 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.3 t80 -99.37 145.9 26.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -129.48 146.84 51.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.658 ' HB2' ' OH ' ' A' ' 90' ' ' TYR . . . -136.52 92.79 2.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 134.04 154.76 7.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.57 152.59 47.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -107.47 169.13 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.1 p -83.57 133.36 34.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.88 -143.88 15.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.96 5.86 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t -154.98 -48.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.7 m -111.8 -54.71 2.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 124.54 17.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.0 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.38 151.64 28.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.51 174.33 19.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -153.35 128.73 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.79 -69.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.39 -128.65 1.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.69 106.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.6 t -74.05 124.7 31.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.29 164.78 12.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.74 104.02 9.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.858 HG11 HD13 ' A' ' 53' ' ' LEU . 74.3 t -94.6 145.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.4 t -128.13 130.32 47.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD11 ' N ' ' A' ' 48' ' ' ALA . 2.8 mm? -126.24 159.95 31.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.12 168.19 11.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 4.5 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.63 120.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' HG3' ' CD2' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -177.07 57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 51.49 51.37 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -154.6 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.37 -60.02 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.599 ' O ' ' CE1' ' A' ' 20' ' ' HIS . . . -155.3 -149.36 5.28 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -39.82 -39.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.16 -0.45 22.52 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 30.4 p90 -139.11 133.94 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.65 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 pt -114.19 161.31 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -144.07 171.38 14.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 -153.83 17.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.27 138.12 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.3 t -58.65 -33.97 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -55.51 -36.0 66.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.99 -26.76 36.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.68 -7.88 27.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.03 172.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -91.22 -123.59 2.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 36' ' ' GLY . 8.8 mm -131.22 145.65 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 79.7 m-85 -159.45 150.38 19.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.457 HG11 ' CG2' ' A' ' 42' ' ' VAL . 61.3 t -60.73 136.62 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -111.24 -35.55 5.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.1 tm? -148.93 148.31 29.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.779 ' H ' HD22 ' A' ' 41' ' ' LEU . 41.4 t -136.47 123.26 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.46 141.46 95.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 158.94 42.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.28 33.33 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.2 p -103.76 172.81 6.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.5 tp -67.2 -52.27 43.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -42.8 -59.26 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -57.83 -40.15 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -62.93 -35.24 79.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.773 ' CB ' HG13 ' A' ' 12' ' ' VAL . 19.7 mm-40 -68.01 -24.63 65.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 125.5 -17.39 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.858 HD13 HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -45.94 158.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 177.28 132.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.298 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.2 t -45.06 117.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 132.95 -32.43 2.76 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.98 -176.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 60' ' ' LEU . 64.4 tt0 -142.56 113.4 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.892 HD13 HG13 ' A' ' 89' ' ' VAL . 16.4 mm -69.6 93.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 90' ' ' TYR . 26.3 mt -72.7 -52.03 16.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 32.5 mtt180 -131.8 163.26 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.76 HG22 HD11 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -143.54 113.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 4.3 t-20 79.61 -62.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -163.87 -44.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.7 161.84 30.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.7 p -109.81 138.88 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 75' ' ' ALA . 3.0 mt -86.72 47.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.56 99.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 39.79 82.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.6 m -132.45 149.93 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.7 p -56.77 160.77 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.859 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -60.61 -29.74 69.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.3 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 42.1 mm-40 -67.27 -57.52 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -52.93 -50.5 63.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.6 t -53.75 -57.01 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -51.9 -22.06 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.651 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.08 -46.23 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.604 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.5 mt -72.69 77.65 1.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.48 164.54 27.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.87 82.56 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' LYS . 3.1 p -108.68 166.66 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -44.71 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 52.3 99.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.76 HD11 HG22 ' A' ' 62' ' ' VAL . 3.4 tp -84.77 110.14 18.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -100.69 103.64 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 122.39 25.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -97.7 105.68 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.995 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.892 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -120.74 146.98 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.929 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.1 t80 -103.74 114.55 28.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 t -91.99 137.28 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -132.78 171.89 13.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.85 137.03 9.0 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HB3' HD12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -43.25 -73.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 94' ' ' ARG . 3.9 mp -121.9 112.67 35.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.1 p -115.41 163.33 15.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 74.85 150.79 2.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.62 14.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 m -141.64 119.24 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -90.96 134.56 34.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 91.69 3.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.46 147.94 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.13 105.9 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -148.59 121.34 8.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 0.742 . . . . 0.0 109.989 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -130.44 156.01 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.5 -118.73 0.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -175.63 134.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 89' ' ' VAL . 40.3 t -87.29 129.76 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.749 ' CG ' HG23 ' A' ' 89' ' ' VAL . 2.2 ptt180 -94.59 169.79 9.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -126.07 101.07 6.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.5 t -95.9 143.75 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 t -128.78 115.11 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? -115.5 132.56 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -109.53 171.53 7.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -115.17 39.4 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.301 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.11 84.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -163.69 40.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 82.57 -58.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.03 95.82 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.583 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -55.94 121.16 8.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.97 153.76 6.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -60.64 -31.29 70.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.48 7.59 56.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.625 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 8.3 p90 -143.99 131.64 21.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.46 165.63 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 pt -127.37 167.5 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' TYR . 10.4 ptt180 -155.29 166.2 34.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.61 -151.9 18.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.35 148.16 5.6 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -63.4 -28.12 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.45 -28.78 69.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.344 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.54 -12.35 32.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.088 . . . . 0.0 109.588 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.32 -3.64 82.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -103.11 165.1 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.78 -126.41 0.86 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 7.4 mm -132.84 146.67 32.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 33.2 m-85 -160.11 161.2 33.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.762 HG11 HG23 ' A' ' 42' ' ' VAL . 44.8 t -74.5 137.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -106.84 -26.69 11.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -153.29 148.52 26.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.813 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.0 t -136.68 119.56 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -66.96 142.34 97.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.076 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.97 163.51 35.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.09 30.17 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.423 1.077 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 2.2 p -99.52 174.13 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 110.042 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' GLU . 8.4 tp -68.48 -55.28 12.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.9 -65.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.5 -27.89 7.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -79.52 -30.45 41.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' LEU . 12.9 mm-40 -77.49 -17.06 58.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.36 -23.05 7.3 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.625 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -43.31 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 171.78 145.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -50.41 113.31 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.23 -26.7 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.749 ' OD1' HG23 ' A' ' 39' ' ' VAL . 7.3 p-10 -56.28 170.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 89' ' ' VAL . 47.4 tt0 -128.96 113.31 15.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.78 HD13 ' CG1' ' A' ' 89' ' ' VAL . 8.5 mm -77.44 90.72 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.944 HD11 ' HB2' ' A' ' 90' ' ' TYR . 24.0 mt -67.05 -62.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 14.5 mtp180 -121.37 168.21 11.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 62' ' ' VAL . 9.8 p -143.6 113.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.505 HD22 HD13 ' A' ' 85' ' ' LEU . 1.8 t-20 71.16 -63.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -157.38 -45.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 150.74 48.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -105.66 129.46 53.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.4 mt -90.48 47.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.97 -61.3 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.12 89.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.4 m -136.01 158.47 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.8 p -66.75 159.22 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.4 t-80 -53.21 -33.13 51.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -51.67 45.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.6 mm-40 -52.43 -52.5 53.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.539 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.65 -53.36 52.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.5 t -55.51 -57.89 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -52.72 -21.73 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -83.83 -39.92 19.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.32 -80.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? 56.26 -170.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.47 87.31 0.36 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.417 ' C ' ' N ' ' A' ' 84' ' ' LYS . 2.2 m -86.1 159.82 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -27.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.417 ' N ' ' C ' ' A' ' 82' ' ' SER . 4.8 ttpt -168.94 93.04 0.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD12 ' H ' ' A' ' 86' ' ' VAL . 15.8 tp -88.2 143.46 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.587 ' H ' HD12 ' A' ' 85' ' ' LEU . 33.8 t -111.04 104.26 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.638 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mm? -78.87 118.87 21.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.2 m -96.36 106.79 19.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.78 ' CG1' HD13 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -125.03 149.55 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.944 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.8 t80 -98.56 109.49 22.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 t -86.71 142.57 28.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.972 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 90' ' ' TYR . . . -152.69 171.43 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 49.86 78.0 0.11 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 63.76 163.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 tp -92.35 147.14 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 p -45.43 -60.3 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -147.39 157.51 27.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.03 113.22 5.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.8 t -76.91 94.54 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -163.04 170.53 17.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -120.61 -61.08 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.24 -162.65 27.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -179.12 163.14 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 110.009 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.96 155.19 16.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.31 122.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.532 1.145 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 91' ' ' SER . 5.7 tp10 -159.99 129.31 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 90' ' ' TYR . 26.5 t -77.46 131.3 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.705 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.2 ptp180 -103.03 169.74 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.31 102.01 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 53' ' ' LEU . 70.7 t -94.79 141.14 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 p -128.84 121.47 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.068 HD13 HD22 ' A' ' 47' ' ' LEU . 4.4 mm? -113.77 128.22 56.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -84.97 166.48 16.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -48.09 154.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -166.31 -60.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.663 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -110.67 -28.74 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 81.33 -73.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 13.9 p-80 -73.71 83.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 51.59 98.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.03 80.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -108.86 23.41 14.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.06 -18.37 45.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 p90 -129.91 130.89 45.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.84 164.2 14.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 pt -129.02 158.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.66 171.86 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.18 -154.94 18.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.68 135.58 3.92 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.61 -28.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -49.66 -59.51 3.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -19.55 64.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.71 42.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -112.25 171.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.754 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.9 -125.95 1.74 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 12.4 mm -131.08 145.55 35.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.577 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 79.8 m-85 -157.93 151.55 23.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG11 HG23 ' A' ' 42' ' ' VAL . 23.2 t -63.31 136.05 26.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 p -113.81 -30.89 6.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.5 tm? -146.69 148.21 31.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.849 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.8 t -136.53 120.36 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.91 137.9 94.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.95 160.74 39.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.43 29.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.6 p -100.78 176.87 5.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.068 HD22 HD13 ' A' ' 14' ' ' LEU . 7.8 tt -67.71 -51.43 49.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.648 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.12 -68.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.87 -22.79 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -33.03 39.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.671 ' CG ' HD23 ' A' ' 47' ' ' LEU . 17.6 mm-40 -78.45 -11.51 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.31 -18.85 20.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -44.89 160.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.849 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.76 155.47 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.244 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.11 118.64 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.94 -26.48 3.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.43 -179.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.577 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 67.1 tt0 -138.51 110.15 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 12.7 mm -73.8 83.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.914 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.0 mt -60.13 -60.94 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.1 mtm180 -112.89 162.85 15.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.954 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.8 p -140.83 113.85 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 70.23 -62.99 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -157.42 -45.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -67.27 157.49 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.3 p -111.13 123.57 50.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -83.68 50.87 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.56 -58.51 6.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -142.91 80.2 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 29.6 m -136.14 154.13 32.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 p -60.15 176.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.808 ' O ' HG23 ' A' ' 76' ' ' VAL . 12.2 t-80 -71.51 -35.11 70.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.02 -37.26 81.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.5 mm-40 -56.11 -59.36 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.01 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 72' ' ' HIS . 90.7 t -58.44 -60.15 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -20.87 28.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.491 ' CB ' HG11 ' A' ' 62' ' ' VAL . . . -85.5 -24.79 27.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' HG ' HG21 ' A' ' 62' ' ' VAL . 7.7 mt -72.21 -62.45 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.06 174.52 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.23 65.55 2.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.43 135.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.967 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -76.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -82.21 98.91 8.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD21 HD23 ' A' ' 79' ' ' LEU . 3.7 tp -93.85 113.09 25.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 85' ' ' LEU . 42.7 t -98.2 101.13 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.633 HD23 HD23 ' A' ' 14' ' ' LEU . 1.5 mm? -74.03 121.36 20.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -95.42 104.66 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -118.58 147.8 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.914 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.3 t80 -101.69 126.25 48.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 8.6 t -77.4 138.51 39.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -151.78 164.06 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.32 77.26 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -58.5 -38.87 78.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.1 tt -135.34 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.84 120.72 37.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.23 177.48 38.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.04 37.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.8 t -172.61 51.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.1 m -41.82 132.8 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.06 123.85 4.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m 59.84 162.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.09 76.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.46 165.84 30.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 110.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.8 123.38 37.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.31 -136.52 8.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.565 1.165 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -171.31 128.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 89' ' ' VAL . 50.7 t -123.77 132.3 71.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.638 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.8 ptp180 -94.37 168.33 10.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -122.47 104.87 9.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.75 HG13 ' CB ' ' A' ' 51' ' ' GLU . 78.5 t -97.69 144.47 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.575 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.5 m -127.99 124.9 38.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.035 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.3 mm? -126.13 136.28 52.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' O ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -126.2 143.54 51.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -91.3 87.23 6.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . 167.96 56.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -160.62 38.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 80.59 38.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -173.23 135.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.73 98.76 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 131.85 47.86 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER 69.09 -62.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 126.26 -0.02 7.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 111.049 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 29.4 p90 -137.07 135.05 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.777 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.86 157.5 17.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 0.0 110.005 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.495 HD13 ' CD1' ' A' ' 79' ' ' LEU . 1.3 pt -128.1 165.35 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ptt85 -149.64 174.63 12.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.09 -157.87 14.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.5 146.42 4.63 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.4 t -65.52 -12.1 49.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.42 -23.32 46.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.76 0.4 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.45 6.8 88.08 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.91 164.32 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.785 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.68 -124.81 0.88 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -133.05 149.91 32.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 70.7 m-85 -161.02 154.34 21.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.473 HG11 HG23 ' A' ' 42' ' ' VAL . 94.8 t -64.17 140.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.79 -42.5 4.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.3 tm? -146.99 150.71 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.819 ' H ' HD22 ' A' ' 41' ' ' LEU . 3.2 t -136.57 121.81 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.08 140.2 95.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -75.01 166.64 28.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.02 31.31 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 44' ' ' PRO . 26.2 p -104.29 178.15 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 tp -73.4 -42.36 62.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.831 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.51 -67.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 42' ' ' VAL . 3.6 tp10 -51.02 -26.24 5.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -79.88 -31.53 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.75 ' CB ' HG13 ' A' ' 12' ' ' VAL . 33.0 mm-40 -75.81 -17.08 59.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.82 -22.52 9.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.679 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -44.52 160.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.08 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 79.0 t -51.5 119.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.7 -40.34 1.67 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.4 170.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.587 ' HG2' HD23 ' A' ' 60' ' ' LEU . 65.7 tt0 -127.77 105.99 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.86 HD13 HG13 ' A' ' 89' ' ' VAL . 19.8 mm -67.14 79.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD23 ' HG2' ' A' ' 58' ' ' GLN . 46.4 mt -60.32 -59.56 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 54.8 mtm180 -119.7 166.11 13.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.599 HG21 ' HG ' ' A' ' 79' ' ' LEU . 7.5 p -143.43 116.44 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.49 -61.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -160.43 -45.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -67.55 156.35 36.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -106.16 131.75 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.566 HD13 ' HB1' ' A' ' 75' ' ' ALA . 16.9 mt -92.85 46.73 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.84 -77.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -132.79 88.13 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.8 m -135.9 150.67 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.4 p -58.98 156.54 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.83 ' O ' HG23 ' A' ' 76' ' ' VAL . 13.1 t-80 -55.02 -30.5 59.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.603 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.69 -40.06 73.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 31.8 mm-40 -61.65 -55.45 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -54.28 -47.03 72.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 72' ' ' HIS . 86.9 t -63.5 -39.41 85.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -66.1 -17.68 64.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -102.65 -25.98 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.599 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.2 mt -78.51 55.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.04 -174.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 47.72 -168.66 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.97 95.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.43 153.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.2 tttt 57.73 88.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.0 tp -92.57 103.02 15.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -94.5 105.76 17.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -79.61 128.26 33.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.3 m -103.11 101.69 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.86 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -113.63 150.53 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.441 ' HA ' HG22 ' A' ' 9' ' ' VAL . 1.9 t80 -77.5 124.48 27.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' GLU . 54.4 p -105.28 141.15 37.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.85 -177.49 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.54 -87.89 0.02 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.27 129.74 25.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.77 155.57 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.77 113.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.39 -155.22 10.94 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.432 1.083 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.83 12.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.53 -171.14 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.5 p -148.91 -52.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.01 132.72 38.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -159.3 152.38 22.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.74 148.19 19.74 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.55 99.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m 66.66 117.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.04 116.75 1.08 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -149.87 129.91 13.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -86.25 125.04 40.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -97.26 167.28 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -125.51 106.9 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.681 HG12 ' CD2' ' A' ' 14' ' ' LEU . 86.0 t -96.84 143.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.616 ' C ' HD22 ' A' ' 14' ' ' LEU . 23.3 t -127.94 123.31 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.816 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.6 mm? -124.13 115.26 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -118.19 120.59 38.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.259 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 165.91 128.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.22 119.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 -52.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.47 56.84 1.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 176.53 157.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.08 87.32 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.19 160.52 10.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.866 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.16 20.38 16.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.256 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.2 -17.82 54.15 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.866 ' CE1' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -129.68 130.19 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.62 151.75 21.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -117.28 159.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -141.91 171.76 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.42 -154.31 20.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.53 172.05 12.83 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -88.97 43.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.57 -37.65 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -12.64 20.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.25 43.26 3.04 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.93 -178.33 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.81 -130.13 6.86 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.447 1.092 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' ' CG ' ' A' ' 38' ' ' TYR . 12.7 mm -130.47 144.15 38.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.777 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 37' ' ' ILE . 64.6 m-85 -157.26 152.13 25.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.634 ' CG1' HG23 ' A' ' 42' ' ' VAL . 98.9 t -60.27 137.8 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -108.25 -39.45 5.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.052 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 tt -149.55 141.2 23.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.7 t -136.68 119.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 135.1 89.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -21.13 16.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.28 30.13 8.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.3 p -113.01 -179.89 3.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 47' ' ' LEU . 3.2 tp -80.4 -46.55 15.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.816 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.94 -52.82 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.39 -32.86 69.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.7 mttt -73.69 -27.98 61.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 16.9 mm-40 -77.24 -18.78 57.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 119.93 -24.53 7.86 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -40.8 159.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 0.731 . . . . 0.0 109.237 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.94 138.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 40' ' ' SER . 73.1 t -42.9 119.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.43 -36.51 2.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -52.2 -177.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.718 ' HG2' HD23 ' A' ' 60' ' ' LEU . 58.4 tt0 -141.78 112.28 7.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.974 HD13 HG13 ' A' ' 89' ' ' VAL . 14.7 mm -70.67 89.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 90' ' ' TYR . 18.3 mt -70.19 -43.88 69.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.2 mtt180 -138.62 167.73 21.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 67' ' ' LEU . 5.1 p -143.6 115.15 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 75.39 -59.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -167.31 -44.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -71.9 150.27 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 p -94.47 145.3 24.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.736 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -90.94 43.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' ARG . . . -50.09 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER 39.1 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -137.43 143.98 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.6 p -49.27 147.4 3.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.4 t-80 -49.95 -30.99 11.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.05 -35.19 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 41.4 mm-40 -66.45 -56.02 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.736 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.32 -53.98 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 61.6 t -55.1 -53.45 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -53.47 -21.62 6.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.17 -40.38 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.441 HD23 ' CG2' ' A' ' 62' ' ' VAL . 13.7 mt -61.75 -69.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 mmtp 48.58 -174.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.77 79.03 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.46 179.49 6.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -82.46 -61.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 71.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.558 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.2 tp -93.91 111.87 23.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.476 ' N ' HD12 ' A' ' 85' ' ' LEU . 24.5 t -101.85 102.17 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -77.12 121.15 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 19.7 m -94.85 112.06 23.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.974 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.16 157.88 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.863 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.3 t80 -119.47 128.93 54.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 t -106.79 159.37 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.08 158.68 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.55 107.3 0.16 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 133.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 12.5 tt -115.97 140.03 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -150.07 -59.88 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 83.06 177.83 52.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.83 23.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.78 -58.42 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.42 144.79 42.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m 70.58 -61.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 1' ' ' GLY . 61.1 m -45.49 140.98 2.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.73 88.85 0.49 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.14 164.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.019 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -140.17 112.79 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.13 118.24 3.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -134.89 84.7 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 0.805 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.61 125.18 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.82 164.7 12.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.34 105.13 10.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.607 HG11 HD13 ' A' ' 53' ' ' LEU . 65.7 t -95.06 144.98 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.458 ' C ' HD22 ' A' ' 14' ' ' LEU . 13.5 p -128.57 123.28 32.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 110.042 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.672 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.1 mm? -121.86 111.96 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -133.57 111.8 10.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 1.2 mtt180 163.87 86.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.24 131.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.44 -47.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.2 29.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 177.4 138.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.553 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.91 150.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.56 -134.5 5.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.85 -34.17 77.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.29 -7.22 28.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 20.1 p90 -131.01 133.93 46.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.53 154.28 20.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pt -118.44 165.44 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -148.25 158.99 44.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.13 -153.37 17.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.1 145.66 5.21 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -60.25 -32.55 71.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.89 -17.85 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.27 -25.06 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.636 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.83 7.92 49.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 m -121.17 163.61 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.83 -131.34 0.88 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CG ' ' A' ' 38' ' ' TYR . 5.7 mm -130.46 148.49 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 37' ' ' ILE . 41.5 m-85 -162.42 156.85 21.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG11 HG23 ' A' ' 42' ' ' VAL . 41.4 t -82.1 132.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.502 ' HA ' HG23 ' A' ' 55' ' ' VAL . 3.7 p -115.88 -13.08 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.666 ' C ' HD13 ' A' ' 41' ' ' LEU . 1.8 tm? -153.58 141.48 20.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.773 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -137.0 125.33 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 128.59 93.9 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.42 37.25 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.33 23.42 1.91 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -105.07 -178.2 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.6 tp -71.14 -53.44 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.672 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.11 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -49.49 -33.23 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -71.57 -32.56 68.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' LEU . 19.3 mm-40 -72.59 -18.64 61.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.03 -11.19 22.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.607 HD13 HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -53.58 166.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.773 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 166.64 136.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.502 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -38.91 144.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.66 -32.98 6.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CG ' ' NH2' ' A' ' 10' ' ' ARG . 22.0 m-20 -57.91 -176.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' HG2' HD23 ' A' ' 60' ' ' LEU . 53.0 tt0 -138.81 110.85 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.923 HD13 HG13 ' A' ' 89' ' ' VAL . 16.9 mm -71.65 78.38 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.9 HD11 ' HB2' ' A' ' 90' ' ' TYR . 36.7 mt -54.17 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 6.2 mtt180 -117.03 166.89 11.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.582 HG11 HD21 ' A' ' 67' ' ' LEU . 8.8 p -143.32 111.34 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 75.51 -58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -166.08 -46.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.37 157.39 37.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.4 p -103.86 143.44 32.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 75' ' ' ALA . 4.9 mt -87.65 46.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 90.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.276 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 67' ' ' LEU . 46.3 mtt180 42.69 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.244 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 27.3 m -136.41 150.47 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.4 p -57.7 150.88 18.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.434 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.9 t-80 -51.11 -29.7 14.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.71 -36.4 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -66.08 -56.88 9.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.658 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -50.28 -51.2 46.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 84.3 t -56.16 -61.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -21.97 20.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -84.83 -30.69 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 85' ' ' LEU . 4.4 mt -68.02 -54.49 18.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -76.33 164.24 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.15 146.27 11.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.51 114.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 109.969 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -55.32 -175.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.6 tttt 40.79 84.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.63 ' HG ' HD11 ' A' ' 87' ' ' LEU . 1.7 tp -92.9 105.53 17.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.5 t -96.32 109.19 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.63 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.56 121.15 27.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 1.9 m -97.61 106.75 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.923 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -121.24 142.63 36.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.9 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.6 t80 -93.0 123.01 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.42 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 1.2 t -101.79 148.22 25.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.46 164.85 20.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -58.31 103.08 0.3 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -48.95 122.36 5.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 tt -59.07 -35.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.0 t 179.96 133.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -102.42 158.92 17.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.81 20.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.71 124.04 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.64 135.9 49.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.27 157.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 m -42.81 152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.98 -79.96 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -92.76 165.47 12.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 t -115.79 167.93 10.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.36 124.91 2.8 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 94' ' ' ARG . 3.4 mt-10 -151.19 90.27 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.86 124.48 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -100.0 163.09 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -119.02 106.41 12.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.694 HG12 ' CD2' ' A' ' 14' ' ' LEU . 69.4 t -94.53 142.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 p -128.75 120.15 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.8 mm? -118.19 148.83 41.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.55 114.0 22.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 2.9 tmm_? -86.85 67.81 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . 178.55 64.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.698 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 6.1 mttt -147.35 -80.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 162.25 -28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' ALA . 52.2 m80 -37.6 138.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.603 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLY . 6.9 mt-10 -48.43 107.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 24' ' ' GLY . . . 36.14 85.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.089 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER 48.81 22.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 22' ' ' GLY . . . 86.76 -30.07 4.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 4.9 p90 -117.88 126.72 52.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.24 160.83 16.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 pt -122.1 163.13 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -146.95 175.71 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.89 -139.2 16.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.05 155.35 12.79 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 70' ' ' VAL . 2.0 t -47.28 -24.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.1 -46.1 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.41 1.57 53.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.34 77.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -127.92 163.6 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.32 -132.41 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.489 HG13 HD13 ' A' ' 67' ' ' LEU . 9.9 mm -131.26 134.3 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 69.3 m-85 -144.83 153.6 41.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 HG23 ' A' ' 42' ' ' VAL . 58.6 t -64.24 138.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.458 ' C ' HG22 ' A' ' 55' ' ' VAL . 2.7 t -110.34 -39.66 4.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.793 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.1 tm? -144.71 149.76 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.793 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.0 t -136.66 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.96 139.35 95.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.04 163.24 35.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.8 31.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PRO . 17.7 p -101.25 177.59 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.95 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tp -71.32 -49.86 38.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -48.99 -66.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.5 -32.9 13.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -71.31 -31.91 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' ALA . 13.5 mm-40 -72.47 -21.05 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.99 -18.57 8.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -48.58 163.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.755 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 168.22 136.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG22 ' C ' ' A' ' 40' ' ' SER . 79.1 t -40.49 116.27 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.5 -44.08 1.08 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -50.74 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 66.0 tt0 -138.53 111.98 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.955 HD13 HG13 ' A' ' 89' ' ' VAL . 14.0 mm -68.41 85.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.224 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 90' ' ' TYR . 23.0 mt -64.45 -56.46 14.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 66.2 mtt180 -123.13 164.66 18.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 62' ' ' VAL . 5.4 p -143.42 107.67 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER 77.62 -57.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -167.19 -43.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 141.94 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.0 p -92.85 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.569 HD21 HG11 ' A' ' 62' ' ' VAL . 9.6 mt -90.28 48.57 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 67' ' ' LEU . . . -40.56 -72.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -143.63 81.04 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 25.7 m -126.5 151.38 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.437 1.085 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.1 p -64.68 159.14 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.8 t-80 -55.73 -31.83 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.79 -32.04 71.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 37.6 mm-40 -71.46 -61.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -46.84 -45.19 20.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 72' ' ' HIS . 95.5 t -62.45 -54.64 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -60.31 -19.92 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -87.32 -42.58 12.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 23' ' ' LEU . 2.6 mt -43.63 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.414 ' HB2' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.63 -171.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 108.9 -71.37 0.2 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.08 -178.64 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -80.42 -99.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 111.78 2.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.852 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.0 tp -97.83 108.39 21.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 85' ' ' LEU . 54.2 t -96.13 107.73 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -80.07 121.8 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.433 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -95.96 105.15 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.955 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -116.35 153.29 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.839 ' HB2' HD11 ' A' ' 60' ' ' LEU . 8.9 t80 -122.69 116.7 24.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 t -91.3 159.88 15.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.75 68.29 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.16 101.74 2.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -60.23 169.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.797 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -128.2 170.35 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -104.62 -63.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 59.45 159.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 85.24 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -59.24 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 85.9 p -96.31 138.85 33.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 p -159.48 131.19 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.33 138.16 38.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.49 158.49 7.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.59 133.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 143.31 40.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.14 -129.86 1.25 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -167.12 90.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.777 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.13 128.08 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.738 ' CG ' HG23 ' A' ' 89' ' ' VAL . 1.9 ptt180 -94.49 169.68 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.0 mt -125.09 103.09 7.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.688 HG11 HD13 ' A' ' 53' ' ' LEU . 54.5 t -96.42 144.44 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 p -129.2 120.0 25.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 23' ' ' LEU . 3.8 mm? -115.12 111.7 21.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.34 171.88 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HB3' ' ND1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER 56.82 98.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CB ' ' HA2' ' A' ' 81' ' ' GLY . . . -126.95 64.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 -49.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.77 43.08 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 16' ' ' ARG . 56.2 m80 -127.81 43.05 3.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.606 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 51.33 36.42 16.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' C ' ' HG ' ' A' ' 23' ' ' LEU . . . 45.63 92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.4 OUTLIER 69.34 -57.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.89 -8.09 4.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -131.64 143.47 50.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.62 143.22 28.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 pt -105.64 168.29 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.57 175.84 13.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.67 -143.48 16.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.23 157.42 9.56 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -63.67 -28.87 70.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 0.735 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.35 -43.14 74.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.17 -15.93 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.635 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.3 -3.16 59.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 m -101.36 164.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -81.16 -125.44 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 36' ' ' GLY . 17.0 mm -129.86 142.59 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 61.3 m-85 -159.86 152.98 21.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.746 HG23 ' OD1' ' A' ' 57' ' ' ASP . 45.7 t -75.64 136.71 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.471 ' C ' HG22 ' A' ' 55' ' ' VAL . 24.4 p -111.13 -19.47 12.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 42' ' ' VAL . 9.0 tt -153.24 148.73 27.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' A' ' 54' ' ' ARG . 3.2 t -136.63 117.73 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.02 136.96 94.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.4 Cg_endo -74.94 166.6 28.89 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.5 30.93 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' PRO . 5.8 p -105.79 177.57 4.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 3.4 tp -70.0 -55.21 10.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.21 -62.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.25 -26.56 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -77.11 -33.32 56.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' CB ' HG13 ' A' ' 12' ' ' VAL . 9.5 mm-40 -74.62 -15.74 60.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.62 -18.18 15.36 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.688 HD13 HG11 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -40.84 155.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.682 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.18 140.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.471 HG22 ' C ' ' A' ' 40' ' ' SER . 32.8 t -46.26 112.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.06 -28.84 2.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.746 ' OD1' HG23 ' A' ' 39' ' ' VAL . 3.7 p-10 -49.75 172.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HG2' HD23 ' A' ' 60' ' ' LEU . 57.0 tt0 -137.68 112.69 9.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.748 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -75.88 99.16 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.92 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 mt -80.88 -44.33 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.481 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 75.7 mtt180 -133.65 165.62 24.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 ' HB1' ' A' ' 78' ' ' ALA . 8.7 p -143.49 117.63 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 71.0 -60.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.63 -45.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -68.93 157.27 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -102.57 148.99 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 75' ' ' ALA . 12.3 mt -94.09 43.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.66 96.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 42.69 86.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.77 136.33 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.5 p -47.77 156.69 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.0 t-80 -56.83 -31.03 64.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -32.58 69.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -67.21 -62.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.098 . . . . 0.0 110.227 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -45.28 -45.72 12.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 72' ' ' HIS . 88.8 t -57.35 -53.07 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -54.84 -20.95 9.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.736 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -86.58 -48.6 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.07 -67.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 47.42 -162.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' HA2' ' CB ' ' A' ' 17' ' ' ALA . . . -114.56 49.76 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.49 158.33 35.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.01 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -86.04 133.74 33.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.4 tttp 57.81 62.5 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.427 HD12 ' H ' ' A' ' 86' ' ' VAL . 33.7 tp -85.84 136.82 33.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.427 ' H ' HD12 ' A' ' 85' ' ' LEU . 15.0 t -109.14 106.17 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -83.99 119.63 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 2.5 m -93.87 110.55 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.748 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.23 146.24 32.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.92 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.5 t80 -98.81 122.12 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t -99.68 156.13 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.11 115.4 23.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.59 -119.58 4.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.74 169.14 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 pt -124.61 159.06 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 p -88.37 161.07 17.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.939 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.82 143.89 16.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.58 9.74 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 t -130.09 154.26 47.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 t 64.23 148.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -106.02 -59.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.68 151.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.14 122.28 1.3 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -149.91 -60.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 0.743 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -60.06 160.88 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.37 -119.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -143.76 79.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 41.3 t -75.08 125.66 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.65 163.85 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -120.5 108.46 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.729 HG12 ' CD2' ' A' ' 14' ' ' LEU . 76.8 t -102.23 141.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -127.41 112.38 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.729 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.1 mm? -108.89 123.3 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.35 171.71 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 67.24 124.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.03 -168.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.695 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -175.01 -77.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 162.31 -29.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 4.4 p-80 -87.11 103.16 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 68.51 -68.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 89.43 150.57 23.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.77 HD12 ' CZ ' ' A' ' 25' ' ' PHE . 0.3 OUTLIER 74.41 -53.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.95 -4.05 6.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.77 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 41.9 p90 -130.95 138.12 49.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 142.83 27.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 79' ' ' LEU . 40.8 pt -107.8 165.44 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -147.86 176.2 10.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.658 ' N ' ' HE ' ' A' ' 28' ' ' ARG . . . 90.53 -146.95 18.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.441 1.088 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.39 155.02 8.35 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -61.64 -33.41 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.57 -26.07 67.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -93.28 -21.69 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.59 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.92 -2.45 44.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.53 168.55 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.734 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -83.57 -121.89 0.83 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.734 HD13 ' O ' ' A' ' 36' ' ' GLY . 5.5 mm -132.35 147.42 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 54.0 m-85 -162.25 155.39 20.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' VAL . 40.7 t -82.08 131.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.526 ' HA ' HG23 ' A' ' 55' ' ' VAL . 24.9 p -116.84 -13.02 10.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 41' ' ' LEU . 1.3 tm? -153.74 141.82 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.799 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.7 t -137.08 126.08 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.01 137.6 94.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 163.8 34.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.67 30.69 0.07 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' PRO . 1.4 p -104.66 174.69 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.9 tp -67.82 -50.55 56.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -46.03 -65.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.58 -41.76 61.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -62.78 -33.22 74.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.7 mm-40 -72.23 -16.45 61.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 -13.54 24.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.666 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -50.31 165.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.799 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.6 mtt180 166.82 134.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.16 145.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.67 -30.75 8.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.74 179.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' HD23 ' A' ' 60' ' ' LEU . 63.4 tt0 -135.53 109.11 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.835 HD13 HG13 ' A' ' 89' ' ' VAL . 6.7 mm -68.54 80.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.7 mt -57.13 -60.59 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -125.12 162.42 24.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.796 HG22 HD11 ' A' ' 85' ' ' LEU . 9.8 p -143.51 114.52 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 5.0 t-20 81.68 -58.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -171.79 -41.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -72.74 163.28 28.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 m -105.91 140.47 38.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 HD21 ' CG1' ' A' ' 62' ' ' VAL . 20.9 mt -97.84 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -67.25 116.37 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 40.62 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 68' ' ' ALA . 24.0 m -144.45 145.59 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 74' ' ' GLU . 39.0 p -57.7 147.32 28.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.0 t-80 -48.51 -28.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.607 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.03 -40.01 71.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 22.6 mm-40 -59.05 -59.51 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -49.67 -50.86 41.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 72' ' ' HIS . 99.6 t -55.85 -53.2 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -52.71 -21.47 4.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.74 -34.89 12.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 27' ' ' ILE . 2.1 mt -86.45 47.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.67 -78.51 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 167.05 177.4 38.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.54 -178.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -43.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.72 107.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 62' ' ' VAL . 12.2 tp -79.99 118.62 21.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 t -94.45 106.31 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.736 ' N ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -90.61 119.45 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.37 110.58 23.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.835 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -125.12 141.87 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.869 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.4 t80 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.588 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 42.7 p -106.35 149.55 26.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.801 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -163.73 68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.82 146.87 16.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -93.54 142.87 26.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.52 123.85 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.07 -57.71 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.95 151.82 6.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 172.28 16.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 m -119.92 -60.54 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.71 127.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.27 119.23 38.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -174.29 102.9 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.945 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.54 129.91 2.42 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.47 165.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.83 136.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.4 98.54 2.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -134.64 118.61 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 6.8 t -115.8 161.83 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.622 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.44 145.34 35.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -97.26 102.5 14.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CB ' ' A' ' 51' ' ' GLU . 50.8 t -94.02 148.02 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.38 126.37 40.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.651 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.5 mm? -117.45 167.1 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.62 157.85 35.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -50.77 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.52 142.33 49.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.68 50.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 50.09 40.47 21.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 21' ' ' GLU . 6.6 p-80 -121.66 -48.13 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.623 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 20' ' ' HIS . 3.3 mt-10 -135.44 -61.55 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 92.54 58.24 1.37 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 68.79 -61.49 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 135.25 -9.05 4.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.8 p90 -129.1 132.72 47.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.67 141.24 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.71 160.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -145.79 175.34 10.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.29 -152.21 17.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.5 141.42 4.45 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 p -58.64 -24.68 61.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -57.06 -36.42 70.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.01 -19.47 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.96 -2.99 41.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 m -107.46 151.35 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 0.745 . . . . 0.0 109.257 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.37 -122.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 8.8 mm -132.95 148.99 31.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.458 0.74 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.559 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 82.5 m-85 -158.18 163.83 37.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 HG23 ' A' ' 42' ' ' VAL . 41.3 t -77.21 139.43 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' C ' HG22 ' A' ' 55' ' ' VAL . 75.8 p -115.86 -35.85 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.3 tm? -143.85 146.5 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.244 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.753 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 t -136.67 123.01 29.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.14 140.51 95.75 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 158.29 42.34 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 37.92 30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' PRO . 9.0 p -96.46 -175.86 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 0.79 . . . . 0.0 110.001 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.2 tp -73.74 -54.39 8.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.651 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.52 -65.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -49.92 -38.14 34.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -34.94 79.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' CB ' HG13 ' A' ' 12' ' ' VAL . 69.3 mm-40 -73.96 -24.61 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.4 -22.55 5.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.8 OUTLIER -41.96 158.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.647 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.2 OUTLIER 172.71 133.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' C ' ' A' ' 40' ' ' SER . 69.8 t -40.23 119.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.34 -37.91 1.9 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.424 1.078 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.15 -179.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.559 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 65.9 tt0 -138.57 116.31 11.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.903 HD13 HG13 ' A' ' 89' ' ' VAL . 15.1 mm -74.2 94.95 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 90' ' ' TYR . 29.3 mt -71.16 -52.05 21.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -122.52 164.61 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.942 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -142.48 111.23 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.24 -63.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' VAL . 48.0 t0 -155.26 -46.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -69.33 155.02 41.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.6 p -109.53 130.16 55.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.942 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -87.77 47.56 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.23 -53.12 22.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.54 77.17 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 31.5 m -132.42 154.68 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.8 p -64.07 166.16 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.778 ' O ' HG23 ' A' ' 76' ' ' VAL . 5.9 t-160 -63.09 -29.28 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.94 71.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 30.2 mm-40 -64.27 -65.32 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.54 -50.85 9.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.1 t -57.93 -56.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -57.04 -21.28 29.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -90.25 -21.93 21.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD23 HD21 ' A' ' 85' ' ' LEU . 9.7 mt -70.81 -50.83 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -70.85 163.72 26.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.77 -171.55 49.2 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.04 173.02 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 109.984 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 -78.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 124.05 43.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 HD23 ' A' ' 79' ' ' LEU . 1.1 tp -95.38 109.61 21.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.516 ' N ' HD12 ' A' ' 85' ' ' LEU . 52.4 t -97.15 109.46 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD11 ' HG ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -85.2 119.78 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.2 m -101.94 100.0 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -109.32 150.81 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.707 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.9 t80 -106.26 117.44 34.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.9 t -125.53 124.53 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -100.79 168.13 9.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 55.91 -106.64 0.65 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.15 165.93 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 110.295 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pt -110.9 162.37 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.69 164.34 27.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 177.88 115.67 0.45 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.46 42.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.447 1.762 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.0 130.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.76 81.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.042 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.4 p -123.8 97.77 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -164.0 168.01 19.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.99 -166.4 11.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -148.9 145.23 27.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 110.016 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -103.38 152.63 21.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.035 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.86 121.42 0.85 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -153.36 129.48 10.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 89' ' ' VAL . 25.1 t -76.81 126.54 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.696 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -97.08 169.72 9.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.2 mt -125.03 101.26 6.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.529 HG12 ' CD2' ' A' ' 14' ' ' LEU . 62.4 t -95.51 143.62 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -128.83 119.48 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.42 1.075 . . . . 0.0 110.041 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.652 HD11 ' H ' ' A' ' 48' ' ' ALA . 3.7 mm? -117.64 113.77 22.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -99.87 165.03 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 3.6 tpp180 -101.9 170.87 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . 174.77 -58.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -173.37 48.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLU . . . -109.24 86.44 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -62.0 84.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.554 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' ALA . 2.0 mm-40 -175.49 -62.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . 125.17 94.35 0.99 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 69.54 -56.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 134.77 -8.01 4.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.449 1.093 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CG ' ' CD2' ' A' ' 53' ' ' LEU . 40.9 p90 -132.72 133.59 43.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.54 139.75 30.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.84 158.49 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -142.08 170.8 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.83 -158.55 16.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.3 135.39 3.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 p -42.07 -35.41 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.04 -56.74 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -22.14 63.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.657 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -4.21 39.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.8 m -105.27 172.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' O ' HD13 ' A' ' 37' ' ' ILE . . . -87.57 -128.1 2.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 6.4 mm -129.72 145.38 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 66.7 m-85 -159.02 153.93 24.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.666 ' CG1' HG23 ' A' ' 42' ' ' VAL . 61.4 t -70.59 134.34 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 p -111.88 -28.97 7.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.958 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.608 HD13 ' N ' ' A' ' 42' ' ' VAL . 3.2 tm? -152.63 141.03 20.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.666 HG23 ' CG1' ' A' ' 39' ' ' VAL . 2.6 t -136.78 118.88 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 132.0 91.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.01 -20.81 16.47 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 30.34 9.17 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.2 p -114.52 177.94 4.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 3.8 tp -77.76 -52.2 9.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.652 ' H ' HD11 ' A' ' 14' ' ' LEU . . . -40.4 -59.86 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -47.9 -44.02 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -69.78 -29.73 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.02 -22.31 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.53 -30.0 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.613 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -40.5 155.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.38 141.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 53.9 t -44.83 120.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.63 -42.62 1.37 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -48.69 175.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.474 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 65.7 tt0 -137.88 116.1 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.957 HD13 HG13 ' A' ' 89' ' ' VAL . 16.2 mm -69.63 85.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 27.9 mt -64.57 -44.18 91.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 36.4 mtm180 -137.27 168.6 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.539 ' CG2' HD23 ' A' ' 79' ' ' LEU . 7.4 p -143.25 111.22 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.51 -62.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -158.26 -46.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -68.92 144.09 54.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.8 p -97.7 141.56 30.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 75' ' ' ALA . 7.7 mt -97.59 44.85 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.14 -58.65 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.82 88.91 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.4 m -136.12 145.71 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -54.66 157.13 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.721 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -53.92 -37.62 64.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 36.3 mm-40 -67.02 -51.95 48.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -51.01 -53.13 36.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 72' ' ' HIS . 59.5 t -56.24 -55.06 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -55.57 -22.91 24.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -81.98 -44.32 16.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.795 ' O ' HD22 ' A' ' 85' ' ' LEU . 10.8 mt -56.93 -44.59 82.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -44.09 -43.64 7.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 40.25 -151.75 0.09 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -136.41 -76.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -167.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -40.04 124.4 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 79' ' ' LEU . 2.5 tp -86.22 106.02 17.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -96.97 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -78.41 123.84 27.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.478 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.5 m -100.26 100.97 11.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.957 HG13 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -116.52 154.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 4.4 t80 -109.14 118.66 37.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -90.54 158.84 16.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.8 106.95 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.26 -97.42 2.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 62.5 138.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.7 tt -119.7 -46.9 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.33 148.93 42.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -137.54 -96.16 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.18 23.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.49 122.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.8 t -172.48 119.26 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.22 87.67 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -143.42 152.38 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.07 178.52 25.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.0 168.4 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 p -55.86 166.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.48 -131.04 0.4 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.148 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -174.52 54.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 110.237 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.4 m -73.1 163.51 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.27 147.89 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.23 103.03 14.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG11 HD13 ' A' ' 53' ' ' LEU . 48.6 t -93.95 147.68 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.596 ' C ' HD22 ' A' ' 14' ' ' LEU . 1.4 m -128.42 128.49 44.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm? -129.36 112.67 14.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.28 159.58 37.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.42 91.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.39 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.85 101.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.33 -58.72 7.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -69.77 64.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.72 ' CD ' HG13 ' A' ' 76' ' ' VAL . 14.9 tp10 63.59 137.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.18 96.68 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.441 1.088 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.904 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -109.71 23.83 13.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.0 -27.33 9.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.904 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.9 p90 -119.54 134.89 55.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 0.745 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.35 158.1 16.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.527 HD13 ' CD1' ' A' ' 79' ' ' LEU . 10.5 pt -118.17 168.3 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -151.51 172.99 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.4 -134.53 13.07 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.69 174.4 19.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 p -63.29 -21.06 66.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.05 -25.54 64.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -101.69 -5.04 25.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.74 -2.72 87.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 m -104.94 -175.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.438 0.728 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.96 -126.51 4.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 mm -131.76 120.2 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 58' ' ' GLN . 77.4 m-85 -131.52 143.39 50.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 55' ' ' VAL . 84.0 t -58.09 137.23 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.483 ' C ' HG22 ' A' ' 55' ' ' VAL . 26.9 p -114.24 -42.37 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.7 tt -138.3 149.31 45.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.818 ' N ' HD23 ' A' ' 41' ' ' LEU . 9.7 t -136.58 119.51 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.94 139.41 95.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.1 Cg_endo -74.98 165.99 30.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.472 1.775 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.16 29.83 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' PRO . 7.9 p -99.43 170.55 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.0 tp -70.63 -48.53 54.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.732 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -49.02 -56.0 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.36 -34.05 68.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -73.02 -32.31 65.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 47' ' ' LEU . 44.4 mm-40 -70.12 -21.59 63.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.74 -21.49 5.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.648 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -44.4 166.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.683 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 165.61 137.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 38.1 t -44.07 110.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.43 -40.48 1.16 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -53.98 172.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 38' ' ' TYR . 44.8 tt0 -136.49 118.52 15.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.944 HD13 HG13 ' A' ' 89' ' ' VAL . 15.7 mm -71.84 109.92 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.924 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -92.76 -29.62 15.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -149.21 158.59 44.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 HD11 ' A' ' 85' ' ' LEU . 6.3 p -143.55 110.25 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 81.71 -57.06 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -168.84 -46.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -67.9 160.13 29.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.8 p -106.33 139.88 40.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.13 43.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.74 -60.7 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -153.39 93.04 1.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 33.8 m -136.31 154.29 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.7 p -60.56 145.05 50.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.877 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.3 t-80 -44.4 -29.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.53 -50.56 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 24.0 mm-40 -49.29 -61.37 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -47.8 -54.33 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 72' ' ' HIS . 98.5 t -52.84 -57.36 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.31 -23.47 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 75' ' ' ALA . . . -89.7 -48.09 7.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.667 HD22 HD11 ' A' ' 23' ' ' LEU . 7.5 mt -53.39 -27.26 23.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.68 149.82 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -39.04 156.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.88 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 42.84 81.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt 62.93 134.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.716 HD11 HG22 ' A' ' 62' ' ' VAL . 28.3 tp -127.83 136.02 50.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.9 t -118.82 109.73 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -83.69 119.46 24.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.3 m -98.83 104.07 16.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.944 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -115.28 139.61 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.924 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.7 t80 -92.82 124.53 36.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.421 ' HB3' ' CD ' ' A' ' 10' ' ' ARG . 60.6 p -94.7 149.29 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.52 92.63 2.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.49 172.49 27.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.15 143.61 26.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.9 tt -112.32 149.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.6 m -108.41 133.87 51.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -148.7 -179.18 24.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 158.63 42.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.19 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.57 128.26 25.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p -127.14 138.82 53.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -107.0 130.47 54.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.58 131.64 9.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -76.14 -59.37 2.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.29 138.18 58.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.02 129.96 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -160.47 96.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.882 HG13 ' O ' ' A' ' 89' ' ' VAL . 77.3 t -74.23 127.1 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.695 ' CG ' HG23 ' A' ' 89' ' ' VAL . 7.4 ptp180 -98.89 169.84 9.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD22 ' CG1' ' A' ' 86' ' ' VAL . 21.8 mt -123.21 105.12 9.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.625 HG11 HD13 ' A' ' 53' ' ' LEU . 72.8 t -97.42 141.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.3 t -127.12 113.43 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' CD2' HG12 ' A' ' 12' ' ' VAL . 3.7 mm? -109.59 129.62 55.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -116.89 164.36 14.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 79.67 123.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.51 167.74 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.678 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 7.1 tttt -170.96 -84.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 163.4 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -99.77 -53.67 3.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.64 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' CG ' ' OE2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.88 67.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.63 -130.4 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.732 HD11 HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -45.95 -40.7 10.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.742 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.22 -3.16 16.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 12.2 p90 -133.58 132.89 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.24 150.09 22.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.97 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 3.3 pt -113.94 159.52 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 -145.82 175.98 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.3 -121.61 5.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' GLY . . . 83.74 166.93 41.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.6 t -48.43 -45.26 36.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' OE1' ' CB ' ' A' ' 72' ' ' HIS . 12.9 pt-20 -47.7 -39.8 18.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 -32.07 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.642 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.18 24.85 6.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.79 HG13 ' N ' ' A' ' 36' ' ' GLY . 1.4 p -137.47 -150.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 0.794 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.79 ' N ' HG13 ' A' ' 35' ' ' VAL . . . -106.1 -122.33 4.96 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 10.1 mm -133.54 117.15 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 35' ' ' VAL . 22.3 m-85 -123.9 150.75 44.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.507 ' CG1' HG23 ' A' ' 42' ' ' VAL . 24.9 t -78.95 128.75 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.446 ' C ' HG22 ' A' ' 55' ' ' VAL . 12.7 p -101.0 -40.7 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -139.36 148.8 43.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.776 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.6 t -135.43 129.42 49.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' OE2' ' CG ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -70.54 123.03 88.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.27 41.48 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 46.43 24.15 1.55 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 p -105.19 -170.81 1.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.04 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 tp -74.77 -56.22 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -45.92 -65.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.42 -26.85 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 46' ' ' SER . 7.7 mttp -79.23 -29.28 42.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' ALA . 26.1 mm-40 -74.6 -14.91 60.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' C ' ' NH1' ' A' ' 10' ' ' ARG . . . 118.15 -23.11 9.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.625 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -40.21 155.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.355 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 134.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' C ' ' A' ' 40' ' ' SER . 48.2 t -44.77 113.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.28 -38.16 1.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.36 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.501 ' HG2' HD23 ' A' ' 60' ' ' LEU . 50.9 tt0 -140.07 110.94 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.876 HD13 HG13 ' A' ' 89' ' ' VAL . 21.5 mm -68.93 81.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 90' ' ' TYR . 46.2 mt -54.74 -58.76 6.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -124.0 170.53 10.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -142.99 112.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.416 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 4.4 t-20 70.32 -61.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.3 OUTLIER -159.46 -44.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 149.89 49.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.374 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' C ' HD13 ' A' ' 67' ' ' LEU . 80.3 p -104.99 123.51 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -84.61 50.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.83 -55.32 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -148.27 78.86 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 30.6 m -131.12 150.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.3 p -56.6 161.41 2.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.694 ' O ' HG23 ' A' ' 76' ' ' VAL . 14.0 t-80 -62.91 -23.9 67.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.56 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -33.76 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 23.2 mm-40 -61.05 -67.56 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -41.02 -51.97 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 72' ' ' HIS . 63.3 t -56.53 -56.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -55.32 -22.28 18.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.0 -23.45 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.732 HD22 HD11 ' A' ' 23' ' ' LEU . 2.7 mt -71.6 -80.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? 47.78 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.9 68.8 0.21 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -179.36 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 82.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt 66.58 90.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.787 HD12 ' N ' ' A' ' 86' ' ' VAL . 3.6 tp -83.41 131.34 35.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.787 ' N ' HD12 ' A' ' 85' ' ' LEU . 39.5 t -102.32 101.3 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.8 mm? -75.6 121.49 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m -94.01 102.03 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.882 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -113.53 156.06 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.963 ' HB2' HD11 ' A' ' 60' ' ' LEU . 7.8 t80 -116.81 149.06 40.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.0 t -129.71 155.01 46.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.684 ' HB2' ' OH ' ' A' ' 90' ' ' TYR . . . -155.44 97.18 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.83 171.64 13.78 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.03 151.5 19.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.9 mt -122.73 103.68 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.55 165.79 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 145.01 -165.75 27.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 152.3 40.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.051 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.6 p -167.2 120.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.5 159.02 39.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -93.05 104.17 16.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 109.961 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -178.43 105.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.07 151.71 32.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.85 167.79 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.18 162.38 41.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.36 -119.61 3.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 171.26 156.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.421 0.718 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.0 t -112.11 130.05 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -94.55 165.79 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -122.18 106.28 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.637 HG12 ' CD2' ' A' ' 14' ' ' LEU . 78.5 t -98.67 143.7 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 14' ' ' LEU . 15.8 t -128.29 125.05 38.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' CD2' HG12 ' A' ' 12' ' ' VAL . 4.3 mm? -122.29 154.65 37.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -81.16 168.84 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -78.23 57.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' HA ' ' CD2' ' A' ' 20' ' ' HIS . . . 65.22 152.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -171.52 -44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.77 29.81 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -152.41 -173.61 4.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -112.06 67.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.11 -110.28 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.936 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -114.07 0.09 14.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.42 -26.81 12.47 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.936 ' CE1' HD12 ' A' ' 23' ' ' LEU . 29.4 p90 -117.45 132.02 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.047 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.23 142.52 27.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.9 pt -104.73 164.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -151.81 163.34 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.63 -134.1 11.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.73 164.84 16.51 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -77.13 55.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -128.43 -43.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.7 -17.19 24.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.31 40.95 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 36' ' ' GLY . 11.3 m -129.77 -142.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.632 ' N ' HG23 ' A' ' 35' ' ' VAL . . . -138.69 -124.61 2.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.416 HD12 ' CB ' ' A' ' 75' ' ' ALA . 6.6 mm -132.91 101.61 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' A' ' 58' ' ' GLN . 92.7 m-85 -120.78 151.37 39.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG11 HG23 ' A' ' 42' ' ' VAL . 21.5 t -65.06 147.66 12.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 p -116.82 -38.98 3.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.4 tm? -146.34 143.49 29.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.4 t -136.58 119.09 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.93 129.1 94.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 18.2 Cg_endo -75.04 -20.29 16.93 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.505 1.792 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.35 32.43 6.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.4 p -117.15 -178.55 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.032 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 47' ' ' LEU . 3.6 tp -80.67 -46.73 15.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.634 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -44.42 -57.45 3.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.432 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 2.2 tm-20 -52.21 -37.91 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' LEU . 11.9 mm-40 -74.13 -20.51 60.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 121.7 -24.14 7.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -43.8 165.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' CA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 173.36 157.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 41' ' ' LEU . 70.4 t -61.59 118.53 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.18 -33.87 2.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -52.96 -179.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.741 ' OE1' HD23 ' A' ' 60' ' ' LEU . 1.2 tm0? -141.42 118.44 11.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.946 HD13 HG13 ' A' ' 89' ' ' VAL . 17.1 mm -75.08 86.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.0 mt -62.67 -54.03 45.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 5.9 mtt180 -124.72 170.15 11.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.971 ' HB ' HD21 ' A' ' 67' ' ' LEU . 3.1 p -143.36 107.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 68.29 -66.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -147.53 -45.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -66.66 160.79 24.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -117.44 127.89 54.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.971 HD21 ' HB ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -86.8 46.65 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.15 98.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 57.05 66.98 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 10.4 m -132.6 138.76 51.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 p -44.77 164.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.838 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.4 t-80 -61.46 -39.9 92.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.08 96.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -53.9 -65.18 0.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -53.28 -51.43 62.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 72' ' ' HIS . 78.9 t -51.29 -58.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.19 -24.04 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.686 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -89.87 -43.16 10.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 62' ' ' VAL . 4.5 mt -67.23 94.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' C ' HD22 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -149.98 -100.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 82' ' ' SER . . . -132.66 -113.61 1.48 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLY . 2.3 t 84.0 69.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mttp 42.1 83.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt 62.54 110.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 86' ' ' VAL . 1.2 tp -82.55 111.88 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.551 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.9 t -98.37 103.16 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -79.06 123.76 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 3.6 m -99.16 111.91 24.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.946 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -129.37 149.48 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.898 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -107.59 144.4 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.479 ' O ' ' CZ ' ' A' ' 90' ' ' TYR . 7.5 t -94.83 145.29 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.752 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . . . -150.44 54.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.73 156.44 6.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.2 tpp180 -72.14 -34.47 68.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.7 mm 65.42 -77.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ARG . 6.4 t 75.14 144.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.924 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.89 157.9 27.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.11 36.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -87.95 -57.64 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.04 102.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -151.07 106.41 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 63.26 166.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.6 -131.16 1.86 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.69 -63.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -136.69 127.41 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 8' ' ' GLU . . . 162.08 134.05 1.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 167.62 109.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.8 m -73.19 162.65 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.752 ' CG ' HG23 ' A' ' 89' ' ' VAL . 4.3 ptp180 -104.46 169.58 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 10' ' ' ARG . 16.7 mt -122.68 101.91 7.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 75.7 t -97.87 140.42 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -127.36 117.13 21.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 87' ' ' LEU . 4.2 mm? -111.28 125.07 53.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 171.36 8.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 168.92 -36.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 54.21 69.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -160.57 -44.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 83.59 32.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -59.0 -158.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.62 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . 1.3 mt-10 -38.85 -50.6 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.09 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -104.72 28.59 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.95 -18.35 36.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.1 p90 -123.83 135.39 53.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.47 169.78 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.034 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 9.4 pt -128.95 166.95 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -149.65 169.2 21.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.74 -134.64 13.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.058 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.481 ' N ' HG23 ' A' ' 35' ' ' VAL . . . 104.19 179.51 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' HIS . 36.1 t -62.05 -156.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' N ' ' OG ' ' A' ' 31' ' ' SER . 3.5 tp10 66.81 -68.77 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -68.52 -40.27 80.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.94 44.38 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.565 1.166 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 30' ' ' GLY . 12.0 m -140.56 152.48 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -74.64 -136.0 0.41 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.545 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 19.7 mm -124.54 149.06 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 33.5 m-85 -162.06 159.3 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 42' ' ' VAL . 41.8 t -88.96 135.27 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.56 ' HA ' HG23 ' A' ' 55' ' ' VAL . 6.7 t -118.04 -11.18 10.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.647 ' C ' HD13 ' A' ' 41' ' ' LEU . 2.2 tm? -153.82 141.37 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.1 t -137.28 125.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.83 133.45 94.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -74.99 164.71 32.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.543 1.812 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.28 29.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PRO . 6.7 p -106.14 -178.82 3.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HG ' HD13 ' A' ' 14' ' ' LEU . 3.3 tp -69.38 -56.13 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -43.01 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.484 ' OE1' HG11 ' A' ' 42' ' ' VAL . 1.8 tp10 -50.4 -28.69 8.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 tttp -74.37 -33.72 63.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' OE2' HD11 ' A' ' 47' ' ' LEU . 62.2 mm-40 -75.17 -14.57 60.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.55 -19.02 24.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -42.71 161.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.784 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 172.04 137.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.56 HG23 ' HA ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -39.04 146.39 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.2 -15.66 54.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.57 170.81 11.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 61.2 tt0 -127.82 110.32 12.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.89 HD13 HG13 ' A' ' 89' ' ' VAL . 10.4 mm -75.26 88.03 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' A' ' 90' ' ' TYR . 11.7 mt -70.39 -43.92 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 15.5 mtt85 -133.34 157.64 44.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.628 ' CG2' HD23 ' A' ' 79' ' ' LEU . 5.9 p -139.38 112.57 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER 77.13 -57.89 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 -43.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -69.78 158.79 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.0 p -104.0 140.15 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -104.44 47.43 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.05 -70.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.77 94.04 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 17.6 m -138.71 144.47 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 p -46.02 164.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.806 ' O ' HG23 ' A' ' 76' ' ' VAL . 3.2 t-80 -65.5 -30.41 71.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.576 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.16 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 27.1 mm-40 -67.07 -62.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -47.17 -47.75 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 72' ' ' HIS . 66.4 t -58.78 -54.74 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.08 -20.96 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . . . -85.87 -37.08 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 23' ' ' LEU . 9.3 mt -52.61 -62.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 169.12 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.03 159.05 30.46 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.4 m 64.01 145.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.6 tttm 42.15 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.7 tp -86.55 104.23 15.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.3 t -94.48 100.69 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 14' ' ' LEU . 1.1 mm? -74.11 130.29 39.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 4.3 m -105.09 113.34 26.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.89 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -130.64 134.47 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.85 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.4 t80 -83.1 128.45 34.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 t -108.83 146.19 34.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.07 111.75 22.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.8 154.45 0.14 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 140.38 57.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.45 134.28 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -130.05 167.11 18.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 117.27 132.79 4.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 178.95 6.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.1 t -139.66 -58.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.4 m 52.22 100.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.85 158.49 36.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.64 107.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.83 -139.72 4.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -94.15 161.9 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.782 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.31 169.55 17.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.46 137.72 5.58 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -147.83 116.51 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.6 129.71 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.635 ' CG ' HG23 ' A' ' 89' ' ' VAL . 5.6 ptp180 -94.55 169.82 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -120.96 110.61 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.943 HG11 HD13 ' A' ' 53' ' ' LEU . 48.3 t -105.7 141.98 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.511 ' C ' HD22 ' A' ' 14' ' ' LEU . 4.3 p -129.37 124.16 33.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.955 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.915 HD11 ' N ' ' A' ' 48' ' ' ALA . 4.5 mm? -121.7 129.96 53.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.34 130.78 48.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' CD ' ' NE2' ' A' ' 20' ' ' HIS . 1.9 ttm-85 169.8 117.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.84 116.14 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -166.57 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.59 27.0 2.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' NE2' ' CD ' ' A' ' 16' ' ' ARG . 31.7 p-80 -147.3 151.39 36.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.585 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.0 155.14 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.16 155.33 22.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.946 HD12 ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -105.34 18.5 22.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.75 -24.43 30.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.946 ' CE1' HD12 ' A' ' 23' ' ' LEU . 22.1 p90 -123.5 137.33 54.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 146.38 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.0 pt -109.86 164.82 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -149.69 175.53 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -137.69 13.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.4 151.76 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 91.4 p -64.72 -22.83 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -27.29 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -94.51 -15.54 24.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.27 9.01 49.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -119.52 178.05 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.13 -127.37 5.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 75' ' ' ALA . 5.9 mm -125.46 134.92 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.565 ' CE1' ' CG ' ' A' ' 58' ' ' GLN . 99.0 m-85 -152.38 146.89 25.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 42' ' ' VAL . 36.2 t -61.9 140.11 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' C ' HG22 ' A' ' 55' ' ' VAL . 7.6 p -114.71 -36.5 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.052 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 ' C ' HD13 ' A' ' 41' ' ' LEU . 1.1 tm? -148.06 141.79 25.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.634 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.6 t -136.87 117.97 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.4 mt-10 -67.68 136.68 92.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.95 -19.43 17.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.85 33.76 5.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.5 p -120.8 156.1 32.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.765 HD22 HD13 ' A' ' 14' ' ' LEU . 10.4 tt -61.1 -35.7 77.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.915 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -53.81 -49.02 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 44' ' ' PRO . 3.0 tm-20 -66.09 -21.73 66.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.24 -33.22 32.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.576 ' CG ' HD23 ' A' ' 47' ' ' LEU . 13.7 mm-40 -73.17 -7.51 51.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 106.81 -18.42 37.32 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.943 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -42.28 162.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 0.733 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.71 156.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' C ' ' A' ' 40' ' ' SER . 55.8 t -61.14 117.28 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.24 -39.84 1.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -50.17 167.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.565 ' CG ' ' CE1' ' A' ' 38' ' ' TYR . 67.0 tt0 -129.67 114.36 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.894 HD13 HG13 ' A' ' 89' ' ' VAL . 19.5 mm -72.27 101.28 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD11 ' HB2' ' A' ' 90' ' ' TYR . 28.8 mt -81.2 -54.0 5.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -124.41 164.03 20.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 78' ' ' ALA . 4.9 p -142.68 112.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 73.13 -59.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -164.73 -44.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 154.95 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -102.83 144.72 30.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 75' ' ' ALA . 8.9 mt -94.52 44.57 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.01 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER 39.64 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 34.5 m -134.55 150.71 30.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.9 p -54.76 155.86 4.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.812 ' O ' HG23 ' A' ' 76' ' ' VAL . 2.2 t-80 -57.68 -26.31 61.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.627 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.81 -28.48 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 11.3 mm-40 -71.26 -59.06 2.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . . . -48.48 -49.69 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 72' ' ' HIS . 57.5 t -57.43 -52.02 62.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -54.67 -21.15 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -90.7 -54.48 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD22 HD11 ' A' ' 23' ' ' LEU . 12.3 mt -49.21 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 47.36 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.31 80.79 0.28 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.4 p -104.88 124.03 48.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 121.06 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.4 tttt 65.61 60.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.682 ' C ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -77.79 105.08 8.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.584 ' N ' HD12 ' A' ' 85' ' ' LEU . 40.2 t -73.8 123.47 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.639 HD21 ' HG ' ' A' ' 85' ' ' LEU . 22.0 mt -115.1 121.38 42.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -97.65 99.81 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.894 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -111.6 140.0 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.702 ' HB2' HD11 ' A' ' 60' ' ' LEU . 9.3 t80 -94.58 141.55 28.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 p -97.78 127.25 43.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.47 174.08 8.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.25 89.63 0.8 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.78 151.6 39.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 mt -118.0 109.8 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 166.45 15.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -116.28 169.99 13.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.58 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.2 p -158.87 158.36 33.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.9 p -70.55 134.89 48.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -153.62 103.1 2.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.88 145.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.954 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.12 151.91 5.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.4 126.31 52.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.971 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.66 136.87 49.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.57 129.43 2.28 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -178.29 116.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 90' ' ' TYR . 3.8 m -73.94 150.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG2' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -101.51 157.4 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.1 mt -108.28 101.74 10.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' CD2' ' A' ' 14' ' ' LEU . 83.7 t -94.49 140.83 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.7 m -128.26 116.6 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.72 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.9 mm? -115.87 145.87 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 170.82 14.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.528 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 16.5 ttp180 -149.73 -63.47 0.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 16' ' ' ARG . . . 73.91 -74.4 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 6.7 tptt -147.28 -75.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -140.22 36.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -85.65 65.99 9.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.637 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' LEU . 1.1 tt0 69.64 140.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' C ' ' HG ' ' A' ' 23' ' ' LEU . . . -64.55 76.52 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.085 HD11 HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER 68.23 -59.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . 156.95 -22.95 0.46 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.15 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' CZ ' HD12 ' A' ' 23' ' ' LEU . 54.1 p90 -117.02 148.75 41.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 134.97 41.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 79' ' ' LEU . 8.1 pt -100.42 164.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -154.68 164.67 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.9 -149.19 17.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.47 155.96 7.88 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 p -65.59 -24.88 67.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.07 -31.63 70.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -90.03 -13.76 35.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.632 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.75 63.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 177.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.72 -126.42 4.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 10.2 mm -129.25 150.29 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 85.4 m-85 -160.92 148.2 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.405 HG11 HG23 ' A' ' 42' ' ' VAL . 59.4 t -60.42 142.03 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.528 ' C ' HG22 ' A' ' 55' ' ' VAL . 5.9 p -115.18 -37.64 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 42' ' ' VAL . 6.9 tt -147.36 149.23 32.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' N ' HD23 ' A' ' 41' ' ' LEU . 4.0 t -136.64 120.77 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.56 139.46 96.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.2 Cg_endo -75.01 163.22 35.75 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 38.7 29.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' PRO . 55.2 p -101.94 174.15 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 51' ' ' GLU . 4.9 tp -66.53 -45.31 79.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.72 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -51.09 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -47.43 -36.72 10.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -69.83 -33.89 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.555 ' CB ' HG13 ' A' ' 12' ' ' VAL . 32.4 mm-40 -71.28 -20.49 62.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.37 -19.55 9.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.44 1.088 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD13 HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -46.28 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER 178.56 138.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.528 HG22 ' C ' ' A' ' 40' ' ' SER . 23.3 t -46.82 109.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.01 -37.74 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -50.7 179.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' NE2' ' OH ' ' A' ' 38' ' ' TYR . 53.5 tt0 -136.42 115.28 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 89' ' ' VAL . 6.1 mm -75.51 92.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.7 mt -76.96 -53.88 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 61' ' ' ARG . 14.4 mtm105 -124.21 161.45 25.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.537 HG22 HD11 ' A' ' 85' ' ' LEU . 1.1 p -142.75 113.17 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.597 ' ND2' HD13 ' A' ' 85' ' ' LEU . 0.9 OUTLIER 72.33 -60.38 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.23 -45.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.63 150.45 48.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.0 p -104.11 136.78 43.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -97.13 46.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.49 -70.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -142.33 91.07 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 28.3 m -139.17 153.08 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 p -55.57 161.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.391 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.76 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 t-80 -60.49 -32.84 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.574 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.81 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 12.1 mm-40 -56.12 -63.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' LEU . . . -45.03 -52.01 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 72' ' ' HIS . 60.9 t -54.55 -59.67 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.39 -24.36 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.73 -30.04 21.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.085 HD22 HD11 ' A' ' 23' ' ' LEU . 3.2 mt -75.4 58.23 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.6 177.35 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 60.95 171.53 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.96 110.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 136.26 32.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.85 102.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD21 HD23 ' A' ' 79' ' ' LEU . 6.3 tp -89.83 133.39 34.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.708 ' N ' HD12 ' A' ' 85' ' ' LEU . 53.2 t -108.69 105.43 18.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.2 mm? -79.17 130.21 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.411 ' OG ' ' NH1' ' A' ' 61' ' ' ARG . 22.3 m -105.32 109.9 22.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -126.94 138.97 53.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.738 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.8 t80 -83.68 152.12 24.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 90' ' ' TYR . 4.4 t -115.29 139.3 50.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.98 174.93 5.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.78 94.44 1.53 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.92 -178.21 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 pt -99.86 29.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.24 136.79 45.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.7 -142.05 7.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.28 22.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.788 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 t -152.14 137.63 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.0 158.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.135 . . . . 0.0 111.019 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.82 140.01 3.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m 56.65 166.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.28 -87.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -116.89 160.1 21.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -144.82 155.91 43.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.41 115.02 1.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -115.41 68.88 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.77 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.911 HG13 ' O ' ' A' ' 89' ' ' VAL . 72.3 t -75.47 139.71 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.667 ' C ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.99 149.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.764 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -101.4 109.5 21.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 14' ' ' LEU . 38.9 t -94.09 146.62 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -128.91 123.53 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.621 HD11 ' N ' ' A' ' 48' ' ' ALA . 3.8 mm? -120.38 120.62 36.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -79.43 169.46 18.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 ttm-85 63.34 90.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.93 107.47 14.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 5.2 mmtt -120.57 -73.22 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 18' ' ' LYS . . . 160.69 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.99 -17.65 60.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.605 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.73 127.95 41.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 25' ' ' PHE . . . -79.3 53.63 4.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER 62.68 12.23 5.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.79 -20.4 48.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.752 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 p90 -119.58 138.24 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' HB3' ' A' ' 41' ' ' LEU . 1.8 t -89.12 171.72 9.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 20.5 pt -134.56 170.71 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -157.64 174.8 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.53 -133.15 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.84 160.15 11.82 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 t -66.15 -30.06 70.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.82 -14.95 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -108.87 -10.45 15.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.14 26.72 39.48 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 m -128.51 166.28 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.7 -128.36 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.674 HG13 HD13 ' A' ' 67' ' ' LEU . 8.9 mm -133.28 142.12 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.553 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 20.3 m-85 -157.66 168.06 28.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.738 HG11 HG23 ' A' ' 42' ' ' VAL . 24.6 t -86.59 139.99 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.535 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -113.22 -21.31 11.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.931 HD12 ' N ' ' A' ' 42' ' ' VAL . 3.0 tp -152.46 145.79 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.931 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 t -135.81 129.43 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 mm-40 -70.61 140.32 86.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' SER . 18.3 Cg_endo -74.99 159.16 41.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 37.11 33.31 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' PRO . 36.8 p -101.05 178.85 4.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.4 tp -70.75 -54.22 12.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -41.33 -63.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -48.83 -38.16 21.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -70.99 -32.6 69.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 28.5 mm-40 -73.31 -21.65 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.16 -26.44 5.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -40.59 154.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 179.7 140.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 40' ' ' SER . 5.7 t -45.3 100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.89 -24.0 2.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.5 p-10 -51.32 179.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.47 ' HG2' HD23 ' A' ' 60' ' ' LEU . 62.6 tt0 -143.29 110.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.935 HD13 HG13 ' A' ' 89' ' ' VAL . 10.9 mm -78.34 105.23 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.953 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.6 mt -84.08 -44.79 13.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -132.18 165.42 24.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.001 HG11 ' HB1' ' A' ' 78' ' ' ALA . 9.8 p -139.03 113.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 72.1 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -158.6 -45.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -67.47 149.75 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.29 127.85 50.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.674 HD13 HG13 ' A' ' 37' ' ' ILE . 2.6 mt -57.98 -61.33 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 55.21 59.59 3.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.04 104.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' HB ' ' CB ' ' A' ' 74' ' ' GLU . 16.2 m -148.77 146.21 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' GLU . 62.7 p -42.94 143.32 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.9 t-80 -49.14 -26.18 2.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.62 -38.96 53.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 70' ' ' VAL . 19.9 mm-40 -60.98 -65.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.544 ' CB ' HD12 ' A' ' 37' ' ' ILE . . . -40.47 -49.76 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 72' ' ' HIS . 94.7 t -55.53 -55.63 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -52.24 -22.02 3.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.001 ' HB1' HG11 ' A' ' 62' ' ' VAL . . . -88.31 -41.24 13.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.663 ' HG ' HG21 ' A' ' 62' ' ' VAL . 3.0 mt -82.87 66.97 8.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 178.89 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.01 147.52 8.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER 174.98 152.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.983 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 95.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 82' ' ' SER . 1.3 tptm 57.39 108.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.565 ' HG ' HD11 ' A' ' 87' ' ' LEU . 2.6 tp -91.06 103.51 16.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 41.9 t -96.37 107.67 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.639 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -81.24 119.04 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -92.4 101.02 13.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.935 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.49 156.52 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.953 ' HB2' HD11 ' A' ' 60' ' ' LEU . 6.0 t80 -110.58 145.84 37.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -132.08 159.07 39.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.456 ' HB2' ' OH ' ' A' ' 90' ' ' TYR . . . -157.34 151.19 24.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 60.28 150.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.61 138.82 13.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.2 pt -116.03 162.59 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.36 155.57 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.32 173.63 27.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.26 7.5 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.51 167.5 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 74.3 m -97.24 166.49 11.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.5 t -176.99 155.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.971 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 171.43 17.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.16 160.38 20.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.122 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.3 159.76 34.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -108.26 170.79 7.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.35 130.38 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -147.16 90.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 53.3 t -74.07 125.38 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' CG ' HG23 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -95.68 165.1 12.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 86' ' ' VAL . 31.0 mt -120.1 102.77 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.83 HG11 HD13 ' A' ' 53' ' ' LEU . 51.7 t -94.71 144.24 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 p -128.97 122.82 30.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.031 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.96 HD13 HD22 ' A' ' 47' ' ' LEU . 3.4 mm? -117.36 168.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.56 171.8 12.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER 63.32 133.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB3' ' H ' ' A' ' 81' ' ' GLY . . . 175.02 124.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.695 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 2.9 tttt -178.02 50.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 18' ' ' LYS . . . 83.74 -59.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -79.0 111.36 15.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.583 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 68.15 106.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.89 -124.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.953 HD12 ' CE2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -105.33 25.78 10.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.34 -21.86 26.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.953 ' CE2' HD12 ' A' ' 23' ' ' LEU . 15.7 p90 -123.31 135.21 54.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.964 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 158.69 16.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 4.6 pt -118.73 165.34 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.417 ' HA ' ' HE2' ' A' ' 72' ' ' HIS . 9.8 ptt180 -144.24 175.97 9.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.245 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.82 -136.87 14.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.11 145.86 8.79 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' CB ' ' HB3' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -46.38 -39.9 11.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.038 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -45.39 -44.9 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.27 -26.25 39.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.582 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.94 21.17 12.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -124.15 172.46 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -81.15 -150.21 7.19 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.174 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.725 HD11 ' O ' ' A' ' 69' ' ' ARG . 19.6 mm -119.23 126.19 75.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CE2' ' CG ' ' A' ' 58' ' ' GLN . 51.2 m-85 -140.56 167.4 22.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -73.26 136.72 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.515 ' C ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -104.48 -45.56 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 42' ' ' VAL . 7.9 tt -143.21 153.15 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG21 ' HA ' ' A' ' 54' ' ' ARG . 2.3 t -136.69 118.09 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.3 145.97 99.01 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.07 42.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 47.11 23.2 1.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 p -94.48 166.13 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.96 HD22 HD13 ' A' ' 14' ' ' LEU . 5.5 tt -64.24 -52.2 59.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' N ' HD11 ' A' ' 14' ' ' LEU . . . -39.72 -49.31 2.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.99 -43.32 96.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' LEU . 10.5 mttm -58.79 -38.2 78.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.713 ' HG2' HD23 ' A' ' 47' ' ' LEU . 9.0 mm-40 -73.96 -8.0 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA3' ' NH2' ' A' ' 10' ' ' ARG . . . 104.5 -21.86 35.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.83 HD13 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -39.22 151.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.639 ' HA ' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 179.55 145.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 40' ' ' SER . 53.9 t -46.51 115.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.3 -44.21 1.07 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HB3' ' CG1' ' A' ' 89' ' ' VAL . 77.6 m-20 -47.45 172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.607 ' CG ' ' CE2' ' A' ' 38' ' ' TYR . 64.8 tt0 -133.84 109.42 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.911 HD13 HG13 ' A' ' 89' ' ' VAL . 12.1 mm -69.6 84.84 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD11 ' HB2' ' A' ' 90' ' ' TYR . 30.6 mt -65.33 -54.7 25.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 88' ' ' SER . 7.8 mtt85 -124.65 166.0 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HD23 ' A' ' 79' ' ' LEU . 4.3 p -143.63 106.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' VAL . 1.8 t-20 83.3 -51.01 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.9 -47.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -68.16 137.72 55.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 p -92.51 122.49 34.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.722 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 19.3 mt -72.26 -65.38 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 67' ' ' LEU . . . 85.84 -45.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.814 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -155.24 -84.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 69' ' ' ARG . 6.1 m 52.51 163.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.9 p -75.88 148.68 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' VAL . 6.3 t-80 -46.27 -27.65 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.06 -41.64 34.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 71' ' ' THR . 44.6 mm-40 -60.24 -63.07 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -44.34 -48.29 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 72' ' ' HIS . 85.2 t -60.66 -52.43 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -55.72 -21.24 17.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.92 -39.01 13.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.688 HD23 ' CG2' ' A' ' 62' ' ' VAL . 10.3 mt -72.64 91.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.28 137.92 21.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.519 ' H ' ' HB3' ' A' ' 17' ' ' ALA . . . -52.8 -80.4 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.49 -79.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 84' ' ' LYS . 17.3 mttt -140.06 96.82 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER 33.71 89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' H ' ' A' ' 86' ' ' VAL . 26.5 tp -76.88 151.46 35.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.802 ' H ' HD12 ' A' ' 85' ' ' LEU . 44.1 t -124.87 101.62 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mm? -78.11 119.08 21.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.238 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -93.6 108.28 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.911 HG13 HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -123.36 138.31 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.836 ' HB2' HD11 ' A' ' 60' ' ' LEU . 5.9 t80 -97.09 118.65 33.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.447 ' HB2' ' CD ' ' A' ' 10' ' ' ARG . 42.1 t -99.96 133.02 44.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.722 ' HB2' ' CZ ' ' A' ' 90' ' ' TYR . . . -145.56 178.09 8.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -48.2 101.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.64 134.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 tt -138.02 146.29 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.5 p -178.49 150.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 80.17 152.66 8.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -176.14 2.72 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 m -153.77 152.37 30.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 p -111.42 108.75 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 -179.984 . . . . . . . . 0 0 . 1 stop_ save_