data_1x6d_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 1x6d _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 ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.9 142.93 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 0.9 OUTLIER -121.93 112.43 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 22' ' ' HIS . 21.4 mm -93.97 107.7 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.87 129.24 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' CE1' HG21 ' A' ' 20' ' ' ILE . 10.9 m-70 -108.36 103.88 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -132.66 -174.43 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.13 163.36 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.06 102.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.14 34.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 -17.59 19.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 149.84 16.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 96' ' ' ALA . 98.7 mt -76.63 -46.96 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 121.48 -11.96 9.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -131.48 169.09 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -123.55 164.83 18.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mt -93.69 156.3 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.84 151.18 42.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.56 176.34 50.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.21 -171.75 40.29 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.48 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -83.11 -45.3 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.52 -11.94 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.8 mp -88.46 -178.39 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.36 -26.01 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.4 p30 -100.36 96.73 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 2.1 tptp -56.71 -45.89 81.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.39 126.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.72 136.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.0 p -121.96 173.09 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 61' ' ' ILE . 45.7 t -75.57 102.75 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 4.5 t60 -54.9 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.96 157.06 42.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' PHE . 11.8 t -124.11 95.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.5 m-30 -37.34 154.18 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.24 6.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -116.96 86.4 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.15 -174.96 26.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.19 -46.2 9.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.41 -53.84 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -60.49 -46.6 89.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.11 -53.28 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.97 -56.16 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 62' ' ' GLN . . . 97.21 7.21 57.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.502 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.2 m -86.14 -47.39 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG22 ' CG2' ' A' ' 46' ' ' VAL . 21.3 mt -88.97 91.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' LYS . 64.2 mt-30 -106.91 133.31 51.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -37.38 132.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.05 -25.78 26.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.15 165.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 101' ' ' ARG . 5.7 tt0 -102.89 121.76 43.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.37 99.8 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.03 -46.74 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -154.49 164.16 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 29.3 mt -142.54 115.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t-20 81.16 11.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.81 2.48 64.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 110.99 22.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -78.24 148.31 34.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.5 104.11 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 12.72 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.01 26.78 2.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.494 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.93 144.37 49.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.382 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.7 p -69.74 -166.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.58 ' CD2' HD12 ' A' ' 84' ' ' LEU . 70.4 t60 -75.08 -45.09 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.586 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.2 t-160 -70.23 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 9.1 m-20 -38.83 -30.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . -80.23 -54.23 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD12 ' CD2' ' A' ' 80' ' ' HIS . 4.6 mt -49.84 -48.34 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.81 -57.33 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.8 -35.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.77 -35.36 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ALA . 10.3 mtp180 -72.37 -14.04 61.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.74 -29.34 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.47 56.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -97.69 -8.67 28.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.9 mm-40 -63.36 -43.12 78.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -179.4 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -21.64 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -122.63 151.56 41.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -138.9 142.46 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.65 117.91 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.3 126.0 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.5 t -102.86 113.72 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 p -134.32 157.68 45.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 66' ' ' GLU . 5.6 mtp180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.96 151.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' HD11 ' A' ' 61' ' ' ILE . 1.1 m -131.45 102.4 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.543 HG22 ' CE1' ' A' ' 22' ' ' HIS . 22.2 mm -96.28 107.61 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.01 127.06 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.543 ' CE1' HG22 ' A' ' 20' ' ' ILE . 31.6 m-70 -99.14 104.3 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -141.3 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.07 172.35 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.14 103.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.89 42.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.6 -33.3 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.32 163.91 25.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.515 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 2.1 mt -98.72 -47.13 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.39 -6.48 9.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p90 -132.59 168.66 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.47 171.43 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 70' ' ' ILE . 3.5 mt -94.96 159.03 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.69 151.66 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -178.12 23.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -168.15 -159.03 12.93 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -90.82 -42.98 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.24 -15.96 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 2.2 mp -84.97 -174.9 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.77 -31.34 46.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-20 -88.71 82.66 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -52.36 -27.18 14.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -101.89 118.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -64.12 142.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.1 p -132.26 172.33 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.57 99.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 23.5 t-160 -55.91 -61.47 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 162.29 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' PHE . 13.2 t -130.6 95.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.3 m-30 -36.84 153.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.98 86.19 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.29 -172.08 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 2.2 mt -93.5 -44.01 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -41.34 -34.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -43.43 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -41.48 -52.1 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -60.03 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 3.8 57.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -88.38 -45.35 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 HD11 ' CG2' ' A' ' 19' ' ' THR . 5.4 mt -83.6 96.16 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 42.6 mt-30 -112.66 136.82 51.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -49.52 115.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -14.96 9.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 27.2 m120 -71.82 170.02 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -103.63 118.68 37.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -90.24 102.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.02 -51.11 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -150.26 166.85 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 33' ' ' LEU . 24.9 mt -142.08 119.74 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 90' ' ' ALA . 0.7 OUTLIER 74.19 9.66 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.81 2.68 58.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.87 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.62 146.97 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.5 mt -83.63 97.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.65 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 27.21 2.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.492 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.54 144.26 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -74.03 152.5 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 84' ' ' LEU . 78.0 t60 -40.06 -47.04 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.613 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 83' ' ' ALA . 10.5 t-160 -68.67 -61.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 53.2 m-20 -43.3 -27.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.43 -51.72 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 80' ' ' HIS . 4.2 mt -48.55 -48.78 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.02 -55.88 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.18 -36.55 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.42 -36.54 71.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -75.17 -9.71 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.25 -30.07 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.414 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . . . -71.69 -8.14 52.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -12.28 23.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.9 mm-40 -59.19 -43.29 96.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 178.31 7.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -92.47 5.19 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -145.76 154.12 41.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.04 140.04 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 114.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.77 117.58 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.66 113.9 33.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.6 p -135.48 151.37 50.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.8 152.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.16 130.73 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.438 ' CD1' HG22 ' A' ' 97' ' ' VAL . 20.2 mm -95.41 108.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -91.61 129.55 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 20' ' ' ILE . 15.3 m-70 -109.07 107.5 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -137.0 170.0 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -83.23 169.89 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 34.28 59.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -80.38 -32.71 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 163.22 29.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' PHE . 4.2 mt -92.89 -41.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.74 -9.66 12.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 29' ' ' LEU . 9.7 p90 -132.33 169.28 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -124.26 170.52 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 70' ' ' ILE . 3.2 mt -95.88 156.79 16.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.27 151.04 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.91 179.32 52.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 173.99 42.08 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.02 -44.89 75.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -73.6 -23.51 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 80' ' ' HIS . 6.0 mp -79.6 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.54 -31.73 42.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -93.94 101.85 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -59.11 -44.87 92.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.05 119.37 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 1.8 mp -62.52 139.76 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 p -129.65 171.0 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 61' ' ' ILE . 47.3 t -73.43 101.03 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 7.7 t-160 -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.41 151.66 30.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 t -115.54 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -38.67 154.19 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.73 8.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -116.67 86.41 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.15 -170.67 25.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -94.98 -49.05 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.21 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -76.48 -39.27 53.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -65.4 -44.87 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 23.1 mm-40 -58.29 -47.34 83.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.6 -0.9 87.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -81.66 -48.07 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 46' ' ' VAL . 12.0 mt -90.59 91.45 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.3 mt-30 -106.77 128.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 130.59 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.96 -18.22 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 12.9 m120 -65.81 176.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -111.21 124.79 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.6 t -93.88 120.04 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.41 -49.41 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -158.67 160.49 36.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CD1' HD21 ' A' ' 33' ' ' LEU . 40.0 mt -133.83 118.09 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.51 12.13 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -6.58 52.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.89 107.29 6.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -82.15 140.73 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -84.85 91.12 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 14.59 9.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.6 26.97 2.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -68.07 149.05 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.374 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.3 p -77.93 166.54 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t-160 -52.65 -39.45 61.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -70.79 -58.77 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 33.7 m-20 -56.0 -21.83 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -97.58 -25.58 15.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -80.9 -49.84 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.09 -52.39 65.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.94 -37.26 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.82 -36.26 80.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ALA . 16.7 mtp180 -70.84 -11.82 61.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 18.8 mt-30 -97.87 -31.0 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.76 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.82 -9.34 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.8 mm-40 -58.54 -43.14 97.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.03 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 2.0 mtt180 -107.39 -6.63 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -135.1 157.09 47.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.24 144.83 31.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -118.77 117.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.25 112.51 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 t -93.21 117.69 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.2 p -138.28 154.57 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.12 150.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -133.01 109.19 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 97' ' ' VAL . 16.5 mm -88.22 109.23 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.27 123.25 36.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -101.0 105.48 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -136.33 170.44 16.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -86.67 168.46 13.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.5 102.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.04 36.29 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.31 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.46 166.12 35.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 31' ' ' PHE . 5.5 mt -93.49 -45.69 7.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.763 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 120.52 -6.66 11.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' A' ' 29' ' ' LEU . 23.2 p90 -131.39 167.03 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.9 t -118.95 168.53 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -97.9 159.09 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -146.46 145.69 30.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.91 -175.57 43.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HD22 ' A' ' 39' ' ' LEU . . . 159.36 -179.82 34.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -82.86 -23.02 33.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.29 -21.14 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -104.89 -148.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -97.86 -32.9 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -81.86 91.73 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.56 -44.82 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.79 132.69 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.03 141.95 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 p -127.37 171.65 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 61' ' ' ILE . 34.0 t -77.17 100.96 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 2.6 t-160 -55.11 -61.08 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.561 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 157.47 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 t -125.58 95.84 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.8 m-30 -37.67 154.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.41 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -115.32 86.58 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.49 -170.21 21.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -95.35 -45.82 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -44.32 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -69.68 -44.41 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -48.21 68.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 6.7 tp10 -58.36 -40.09 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.86 89.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -46.97 9.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 46' ' ' VAL . 14.3 mt -90.44 96.92 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -110.64 131.25 55.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -38.3 133.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.53 -14.16 64.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.34 171.81 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' O ' ' CG2' ' A' ' 100' ' ' THR . 2.5 tp10 -102.77 132.58 48.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 70' ' ' ILE . 67.4 t -105.34 89.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.51 -49.71 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 p -150.39 168.74 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.8 mt -144.93 118.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER 81.98 1.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.32 49.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -107.0 116.32 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 155.36 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.52 111.14 21.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 12.19 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.42 26.29 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -50.74 144.92 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 5.0 p -72.73 172.73 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.568 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.5 t-160 -71.51 -60.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.542 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 85.4 m-20 -41.27 -29.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.33 -61.04 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mt -42.84 -43.36 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.93 -55.15 37.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -50.59 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -32.84 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -73.88 -27.49 61.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -85.11 -27.78 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.401 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.5 -7.77 55.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 -5.25 34.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 43.9 mt-10 -71.22 -43.26 12.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.05 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.56 -8.57 26.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' A' ' 20' ' ' ILE . 2.5 tt0 -130.67 146.22 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.08 134.93 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -115.44 116.64 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.95 122.77 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.0 t -100.28 113.65 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 66' ' ' GLU . 42.8 p -137.18 165.86 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 t60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.84 140.78 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.88 126.75 38.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 97' ' ' VAL . 34.7 mm -102.48 108.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -88.83 126.79 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.04 105.22 15.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -138.59 175.37 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.7 166.39 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.9 103.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.01 27.89 30.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -83.69 -32.82 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.38 162.91 38.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 31' ' ' PHE . 1.8 mt -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 117.6 -3.66 17.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 29' ' ' LEU . 22.7 p90 -137.25 167.98 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.44 177.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' ILE . 5.1 mt -100.78 157.6 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -140.69 149.83 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 177.4 51.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.75 30.44 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -83.65 -41.66 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.8 -18.63 61.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 5.1 mp -82.25 -176.3 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.56 -35.24 34.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -88.4 87.45 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 6.6 tppt? -53.1 -30.76 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 p -93.82 113.78 29.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -60.94 140.96 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.9 p -126.94 176.32 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 61' ' ' ILE . 58.4 t -77.94 103.79 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 23.6 t-160 -57.93 -61.15 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.73 155.77 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -123.49 97.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -39.82 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.84 7.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -116.61 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.36 -172.9 26.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -90.74 -46.29 8.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.37 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 -42.16 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.68 -47.71 81.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.9 -42.05 97.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.44 13.39 83.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -90.05 -48.75 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.7 mt -90.54 98.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -115.12 131.4 56.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.42 120.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.42 -22.14 11.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 167.98 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.92 114.17 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.62 105.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.65 -48.43 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -155.17 165.25 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 33' ' ' LEU . 39.6 mt -142.34 123.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.2 t-20 77.27 1.33 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.15 49.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -100.43 113.62 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.09 149.53 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.3 mt -83.07 104.39 13.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 13.41 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.85 26.31 3.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.37 146.41 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.398 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 1.2 p -74.17 157.46 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.576 ' CD2' HD12 ' A' ' 84' ' ' LEU . 81.0 t60 -43.97 -49.23 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.633 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -67.31 -61.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 6.2 m-20 -43.37 -28.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -51.3 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 80' ' ' HIS . 3.8 mt -51.51 -47.75 63.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.93 -55.02 33.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.64 -35.04 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.52 -36.12 68.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 10.6 mtt180 -73.63 -10.09 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.78 -26.64 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.41 -7.39 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -8.21 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 56.4 mt-10 -64.84 -43.63 69.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 176.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -2.77 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.425 ' NE2' HD13 ' A' ' 20' ' ' ILE . 4.1 tt0 -132.84 146.1 51.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.45 134.57 35.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.91 121.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 mp -129.41 117.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.11 114.94 35.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -138.6 159.91 40.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.2 t60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -79.87 145.83 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.86 120.37 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' CG2' ' A' ' 97' ' ' VAL . 26.5 mm -98.62 107.73 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -95.69 122.14 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.444 ' CE1' HG22 ' A' ' 20' ' ' ILE . 12.2 m-70 -99.96 110.78 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -139.66 -175.96 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.45 169.41 11.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 4.9 mt-10 -69.25 100.74 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.74 4.13 59.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.521 ' CB ' ' HG2' ' A' ' 24' ' ' GLU . . . -64.86 -33.3 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.85 164.58 37.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 31' ' ' PHE . 2.4 mt -87.84 -39.37 14.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.38 -2.69 16.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 29' ' ' LEU . 19.7 p90 -138.3 168.03 20.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -121.74 176.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -100.87 157.79 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -143.58 151.54 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.49 175.89 50.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.28 41.24 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -79.59 -48.2 14.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -72.73 -7.44 50.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -91.7 -167.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.97 -22.39 25.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.63 86.92 3.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -52.35 -33.85 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.62 116.15 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.84 145.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.1 p -132.68 170.96 14.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 61' ' ' ILE . 41.1 t -72.59 101.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 13.3 t-160 -53.96 -60.98 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -151.09 157.81 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.93 99.78 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.8 m-30 -41.01 153.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.68 9.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -116.86 85.87 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.39 -178.0 33.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -86.21 -47.04 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.41 -28.63 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -38.13 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.16 -45.77 90.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.05 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 9.22 82.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 -48.59 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.437 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' CG2' HG23 ' A' ' 46' ' ' VAL . 11.8 mt -88.63 92.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -107.99 133.96 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -38.0 132.76 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -25.29 28.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.17 174.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 100' ' ' THR . 0.6 OUTLIER -106.17 122.59 46.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.4 t -97.82 89.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.46 -48.77 78.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.0 p -147.98 168.02 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -137.63 113.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 76.88 9.47 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.73 -0.92 52.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -93.96 118.66 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.95 150.58 28.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.61 106.27 16.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 13.16 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 26.41 3.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -58.83 142.43 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.444 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 p -72.12 -167.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CD2' HD22 ' A' ' 84' ' ' LEU . 36.0 t60 -72.33 -42.24 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.8 t-160 -75.83 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 89.1 m-20 -42.88 -29.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.44 -56.18 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -45.1 -50.96 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.78 -53.49 57.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.42 -39.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.01 -34.56 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.4 mtt-85 -69.07 -17.53 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -87.57 -27.61 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.52 -6.53 57.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 -5.38 38.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 25.9 mt-10 -75.05 -44.59 4.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.03 175.56 11.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 3.9 mtp180 -91.91 -4.46 54.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 9.3 tt0 -135.68 148.61 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -141.88 125.75 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -100.71 116.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.2 121.3 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.0 t -100.8 113.71 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 66' ' ' GLU . 41.3 p -136.38 176.37 8.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 p -76.38 141.49 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.497 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.2 m -123.25 112.31 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' CD1' HG21 ' A' ' 97' ' ' VAL . 38.6 mm -95.18 121.76 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -109.55 128.06 54.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -142.3 172.28 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.3 167.8 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.03 102.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.91 28.98 27.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.04 -33.47 21.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.54 163.6 34.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -88.79 -46.94 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.01 -2.63 9.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 29' ' ' LEU . 18.1 p90 -137.8 168.99 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.3 176.07 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 70' ' ' ILE . 4.9 mt -102.03 157.45 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.94 151.46 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 41' ' ' ASN . . . 79.19 174.6 45.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.03 -168.47 31.95 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -82.71 -46.19 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.49 -13.36 61.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.57 -174.37 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.01 -34.45 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 9.1 p30 -94.84 95.88 8.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.3 tptt -53.37 -45.12 69.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 p -82.05 124.25 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -67.87 145.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 p -128.74 175.96 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 61' ' ' ILE . 57.5 t -79.54 106.3 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 8.0 t-160 -62.18 -61.5 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.62 151.66 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -120.3 95.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.9 m-30 -37.58 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.34 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.59 86.36 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.96 -175.1 30.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -51.28 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.45 -27.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -82.36 -50.77 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -53.92 -45.19 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.09 -62.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.19 1.38 44.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.497 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.4 m -78.16 -45.62 22.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 46' ' ' VAL . 3.6 mt -95.23 97.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.6 mt-30 -115.43 127.71 55.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -43.07 110.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.93 -10.04 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 29.2 m120 -79.03 -175.1 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.99 131.22 56.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.236 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.42 112.92 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.79 -47.54 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -152.66 166.11 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CD1' HD22 ' A' ' 33' ' ' LEU . 6.5 mt -141.4 117.9 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 80.06 0.22 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.28 1.61 38.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 114.23 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.44 149.24 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.439 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.8 mt -83.0 107.61 15.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 12.17 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.78 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.373 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -72.49 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CD2' HD13 ' A' ' 84' ' ' LEU . 85.2 t60 -52.72 -40.67 63.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.458 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -71.69 -67.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.553 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 80.5 m-20 -38.77 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -76.24 -55.57 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 80' ' ' HIS . 5.0 mt -46.35 -48.05 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.55 -57.37 12.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -38.56 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.2 -34.72 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.4 mtp180 -71.14 -18.01 62.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -86.96 -24.82 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -80.99 -6.9 59.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -100.09 -4.91 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.68 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.79 -39.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.17 -13.51 13.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' A' ' 20' ' ' ILE . 1.9 tt0 -129.3 146.44 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 29' ' ' LEU . . . -133.8 132.64 40.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -110.51 118.48 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.14 121.14 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.0 t -103.02 114.66 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.1 p -135.82 159.24 42.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.425 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -73.74 149.23 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.492 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.2 m -133.43 102.73 5.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.55 HG22 ' CE1' ' A' ' 22' ' ' HIS . 18.7 mm -85.02 109.64 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.447 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -96.32 125.46 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 20' ' ' ILE . 5.0 m-70 -105.6 110.66 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.47 177.58 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -97.45 169.79 9.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 6.8 mm-40 -50.82 122.12 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 53.66 31.97 46.12 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -33.37 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.46 162.9 32.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 31' ' ' PHE . 1.9 mt -87.64 -47.46 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.561 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.3 -4.95 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 29' ' ' LEU . 16.1 p90 -135.07 168.97 18.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -122.99 172.2 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 70' ' ' ILE . 2.3 mt -97.58 158.44 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' THR . . . -138.12 151.76 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.42 -166.95 14.22 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -160.09 -144.19 3.89 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.52 -41.06 6.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -93.04 -4.12 53.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.03 167.94 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -37.75 -36.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 43' ' ' VAL . 30.2 p-10 -106.35 150.11 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' NZ ' ' HA2' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -97.03 -29.4 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -102.58 124.16 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.8 mp -59.64 121.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 21.5 p -101.85 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 t -79.86 101.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.76 -61.06 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.51 158.27 43.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' PHE . 16.8 t -126.0 95.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -36.51 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.46 10.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -117.22 85.78 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.32 -168.72 22.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -94.81 -45.75 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.54 18.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -80.87 -42.08 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.41 -42.08 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 24.3 mm-40 -66.52 -46.2 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.86 -5.26 76.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.492 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.1 m -71.05 -48.33 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.4 mt -86.86 90.86 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 47.0 mt-30 -98.26 139.79 33.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.21 128.7 25.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.01 14.95 53.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 45' ' ' THR . 1.4 m120 -86.2 176.68 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.52 94.8 5.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 30.0 t -72.31 108.96 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.406 HD21 ' NH1' ' A' ' 101' ' ' ARG . 5.8 mt -76.53 -52.71 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 p -147.95 156.28 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' HD23 ' A' ' 33' ' ' LEU . 8.5 mt -134.28 128.56 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.1 t-20 64.82 13.02 8.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 -1.44 61.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -86.78 117.49 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -86.33 145.65 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -84.0 97.15 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 14.27 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA2' ' NZ ' ' A' ' 42' ' ' LYS . . . 118.71 26.21 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.68 138.46 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.3 p -72.43 -167.41 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.569 ' CD2' HD21 ' A' ' 84' ' ' LEU . 70.4 t60 -71.86 -35.26 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.7 t-160 -77.78 -69.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.483 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 31.6 m-20 -39.51 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -77.9 -54.81 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.2 -53.34 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -54.52 -54.73 37.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -46.02 -38.72 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -69.68 -36.59 76.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.9 mtt85 -71.51 -11.26 60.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -98.33 -4.77 34.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 32.7 mt-10 -71.95 -43.63 10.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -108.62 -15.58 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -124.08 148.73 46.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.93 137.56 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ASN . 2.0 t -117.77 111.75 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -122.92 123.63 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.4 t -103.63 113.62 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.0 p -133.52 158.61 42.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.406 ' NH1' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.88 151.69 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 ' CG2' HD21 ' A' ' 21' ' ' LEU . 11.9 m -126.35 116.43 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' CG2' ' A' ' 97' ' ' VAL . 14.4 mm -115.58 107.65 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' ' OE1' ' A' ' 58' ' ' GLU . 2.9 mm? -104.36 131.81 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -95.92 113.25 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.599 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.85 173.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -96.09 168.22 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.93 102.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.68 30.22 24.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.48 -32.85 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.54 164.48 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.2 -47.32 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 120.65 1.87 11.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.7 p90 -143.54 170.51 15.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 167.41 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mt -92.55 162.14 14.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -149.4 132.44 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.36 175.36 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . 168.98 160.25 16.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.55 -37.6 70.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.4 -23.69 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 80' ' ' HIS . 6.9 mp -82.28 176.89 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.27 -37.57 83.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.6 m-20 -89.61 156.3 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -20.8 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' A' ' 66' ' ' GLU . 1.5 t -97.31 113.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.451 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -66.18 115.65 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.4 p -104.2 164.59 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.11 103.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 16.2 t-160 -52.82 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 155.89 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' PHE . 12.1 t -121.49 96.28 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' GLY . 5.9 m-30 -36.32 151.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.28 12.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -116.95 85.2 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -164.73 18.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -93.2 -57.3 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 58' ' ' GLU . . . -46.18 -27.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -40.47 55.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.1 mt-30 -66.93 -55.47 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' OE1' ' CD1' ' A' ' 21' ' ' LEU . 17.4 pt-20 -58.26 -40.79 82.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . 74.69 0.86 60.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 m -68.96 -44.17 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.09 90.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 67.0 mt-30 -97.76 143.39 28.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -51.99 128.5 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.58 13.98 48.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 5.8 m120 -94.04 129.3 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' CG ' HG13 ' A' ' 43' ' ' VAL . 16.2 tt0 -64.79 108.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 97.1 t -81.03 86.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.71 -62.03 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.4 p -151.0 175.01 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.471 ' CG2' ' OD1' ' A' ' 71' ' ' ASN . 13.8 mt -144.78 120.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' OD1' ' CG2' ' A' ' 70' ' ' ILE . 9.9 m120 73.5 4.51 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.72 5.59 47.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -91.17 106.48 18.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -75.48 138.93 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 10.0 mt -76.53 95.5 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 13.45 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.07 26.66 2.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.61 141.72 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -79.11 154.07 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.557 ' CD2' HD13 ' A' ' 84' ' ' LEU . 58.3 t60 -40.25 -43.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.35 -59.35 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 4.8 m-20 -50.26 -24.93 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.15 -53.91 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 80' ' ' HIS . 4.1 mt -45.58 -48.51 14.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.61 -56.32 23.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.11 -35.43 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.19 -34.69 71.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mtp85 -71.28 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.412 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 8.5 mt-30 -91.91 -26.57 18.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.3 -7.29 53.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -4.95 35.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -73.44 -44.57 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.01 -170.65 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -12.63 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' NE2' HD12 ' A' ' 20' ' ' ILE . 8.6 tt0 -130.62 145.44 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.83 141.17 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.55 118.63 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -135.21 121.98 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.76 113.76 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 p -132.17 157.13 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.72 148.13 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 3.9 m -125.26 103.1 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 97' ' ' VAL . 18.4 mm -95.8 114.26 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 19' ' ' THR . 1.3 mm? -106.37 123.43 48.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.56 102.14 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -126.41 -174.51 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.91 152.87 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 10.3 pt-20 -53.66 102.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.39 26.32 16.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.98 -33.4 13.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.33 165.86 28.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 4.1 mt -94.33 -47.51 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.45 -5.9 14.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.401 ' CE1' HD13 ' A' ' 29' ' ' LEU . 8.1 p90 -136.0 170.09 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.792 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -127.31 169.19 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 70' ' ' ILE . 3.4 mt -94.88 158.18 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -139.3 151.09 46.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.23 176.1 27.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.2 -162.95 13.99 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -87.66 -45.75 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.89 -18.26 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 3.9 mp -81.56 -179.95 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.18 -38.02 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -85.38 85.87 7.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.0 tptp -53.18 -38.28 62.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.89 117.89 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.49 136.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.6 p -124.63 172.12 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 61' ' ' ILE . 41.9 t -75.07 101.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 3.7 t-160 -55.36 -61.47 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 153.67 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -120.12 96.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -39.66 154.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.84 6.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -115.48 86.83 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.66 -171.86 25.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -50.4 5.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.5 -33.22 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -75.72 -46.81 28.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.89 -42.43 65.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -62.7 -56.17 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.354 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.65 -4.89 66.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.493 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 2.3 m -78.37 -44.41 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 HG22 ' CG2' ' A' ' 46' ' ' VAL . 8.7 mt -86.68 96.52 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' LYS . 34.9 mt-30 -110.26 132.4 54.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -37.21 130.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.5 -27.55 19.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -46.46 161.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -98.94 115.06 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.4 t -87.14 104.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 101' ' ' ARG . 1.8 mt -74.34 -47.27 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.79 161.72 40.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' HD22 ' A' ' 33' ' ' LEU . 5.3 mt -135.69 121.89 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.1 6.52 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 -0.35 46.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -89.44 113.46 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 m -81.01 147.04 30.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -84.23 97.71 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 13.74 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.13 26.7 2.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.02 142.89 50.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.405 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 p -72.86 175.26 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.442 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.565 ' CD2' HD11 ' A' ' 84' ' ' LEU . 41.8 t60 -58.06 -45.21 87.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -72.35 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 35.8 m-20 -42.91 -28.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.14 -59.6 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.3 mt -47.57 -42.25 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -63.91 -59.07 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.87 -36.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.71 -36.89 73.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 42.1 mtt180 -65.97 -9.61 31.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -100.18 -26.52 13.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -8.45 30.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' CG ' ' HG ' ' A' ' 29' ' ' LEU . 2.2 mtp85 -97.54 -4.55 37.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 28.8 mt-10 -69.7 -43.39 21.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -100.14 -3.4 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -142.46 144.34 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.68 133.62 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.416 HG23 ' CD1' ' A' ' 20' ' ' ILE . 2.0 t -111.17 111.91 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.43 125.17 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.412 ' CG1' HD13 ' A' ' 68' ' ' LEU . 15.7 t -108.74 113.56 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -131.96 160.33 36.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.06 151.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.442 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.9 m -121.39 110.52 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.445 ' CG2' ' OE1' ' A' ' 95' ' ' GLN . 27.5 mm -110.15 107.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 2.6 mm? -107.21 126.34 52.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.433 ' CE1' HG22 ' A' ' 20' ' ' ILE . 30.0 m-70 -94.93 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -130.23 -174.77 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.61 163.74 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.73 102.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.57 39.83 11.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.93 -27.86 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA2' ' NH1' ' A' ' 91' ' ' ARG . . . 102.05 151.14 23.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.507 ' CD1' ' CD2' ' A' ' 87' ' ' LEU . 68.4 mt -81.8 -47.26 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.41 -12.26 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.15 167.09 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.56 172.63 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.27 155.21 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 47' ' ' HIS . . . -139.26 151.24 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.6 -179.73 46.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.48 170.42 36.26 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.83 -21.16 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.6 mp -86.53 -168.83 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.34 -25.46 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -96.26 99.93 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -59.86 -46.13 90.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -88.09 118.22 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 1.5 mp -59.89 154.86 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.512 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -140.22 -179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 ' CG2' ' A' ' 67' ' ' VAL . 11.1 t -83.52 99.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 8.5 t-160 -58.96 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 154.83 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 t -124.06 98.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m-30 -39.96 153.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.41 11.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -117.35 86.22 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.76 -169.97 23.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' A' ' 23' ' ' LYS . 1.1 mt -96.0 -49.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.32 -35.46 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 t -77.59 -47.32 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -55.79 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.49 -42.49 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -5.84 82.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -63.7 -49.27 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 0.769 . . . . 0.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mt -96.9 90.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 22.5 mt-30 -104.19 126.81 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 12.2 ttpt -39.08 106.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ASN . . . 140.08 -16.35 3.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.48 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 31.7 m120 -53.81 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.512 ' HA ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -115.8 -17.75 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.496 ' CG2' HG22 ' A' ' 46' ' ' VAL . 6.3 t 45.79 93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.22 -49.59 22.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.9 p -156.45 178.36 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CG2' ' OD1' ' A' ' 71' ' ' ASN . 36.1 mt -145.93 124.59 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.463 ' OD1' ' CG2' ' A' ' 70' ' ' ILE . 15.2 m120 70.47 7.12 6.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.79 55.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 106.19 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 126.45 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 12.0 mt -68.4 101.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 13.79 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.64 26.81 2.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.7 143.36 42.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 6.6 p -76.44 160.27 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' HD11 ' A' ' 84' ' ' LEU . 56.9 t60 -45.58 -44.82 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.86 -60.11 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 21.6 m-20 -46.74 -27.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.33 -54.79 4.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.6 mt -49.27 -46.11 45.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.84 -57.18 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.52 -33.94 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.507 ' CD2' ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.02 -34.33 66.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.1 mtt180 -70.74 -18.32 62.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -87.02 -30.46 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.75 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.411 ' NH1' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -98.19 -4.77 34.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.61 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -71.45 -44.85 13.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -22.74 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' OE1' ' CG2' ' A' ' 20' ' ' ILE . 9.0 tt0 -124.78 147.46 48.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.484 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -126.58 142.14 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.52 115.55 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.54 121.13 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.0 125.14 44.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 p -144.53 143.66 30.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.96 137.31 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.7 m -114.18 104.26 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 22' ' ' HIS . 21.9 mm -91.96 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -98.0 132.31 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 20' ' ' ILE . 3.9 m-70 -111.16 103.27 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.579 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -129.96 -174.9 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -87.54 169.55 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.0 mt-10 -67.61 101.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.89 10.28 64.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' CB ' ' HG2' ' A' ' 24' ' ' GLU . . . -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.07 158.55 26.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 87' ' ' LEU . 5.6 mt -84.24 -47.55 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.7 -5.59 9.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 29' ' ' LEU . 10.4 p90 -137.23 167.34 21.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -121.77 163.46 19.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 70' ' ' ILE . 6.9 mt -92.58 158.97 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -144.43 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 176.23 50.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -173.91 -166.93 32.82 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -83.25 -45.62 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.59 -22.86 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 39' ' ' LEU . 6.3 mp -79.14 178.02 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -40.68 71.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' GLY . 83.1 m-20 -83.11 94.97 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -56.24 -45.61 79.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.27 119.03 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.15 141.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.0 p -127.56 173.11 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 61' ' ' ILE . 48.4 t -76.87 105.16 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 23.4 t-160 -59.82 -61.48 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.86 152.07 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.08 103.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.3 m-30 -45.18 154.72 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.54 8.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -116.02 86.12 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.1 -167.19 19.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -95.2 -53.68 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.8 -29.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.57 -45.8 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.9 mt-30 -58.21 -45.36 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -59.3 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 13.23 35.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.501 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -91.71 -48.82 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.43 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG2' HG23 ' A' ' 46' ' ' VAL . 4.1 mt -92.55 99.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 60.7 mt-30 -117.25 126.35 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -42.13 108.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 129.42 -12.08 6.03 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 33.8 m120 -78.94 -177.04 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -114.97 127.44 55.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.3 t -95.73 117.92 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD21 ' CD ' ' A' ' 101' ' ' ARG . 3.5 mt -87.77 -48.51 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -157.09 165.81 35.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 33' ' ' LEU . 39.7 mt -142.64 131.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 64.92 12.58 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.84 6.58 63.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -92.25 106.67 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.45 135.7 42.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 13.22 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.1 26.28 3.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.91 144.36 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.43 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -73.95 172.76 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.585 ' CD2' HD13 ' A' ' 84' ' ' LEU . 45.1 t60 -56.43 -45.53 80.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.3 t60 -71.1 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 84.7 m-20 -45.24 -26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -84.41 -61.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 80' ' ' HIS . 3.4 mt -42.39 -45.6 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.52 -57.05 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -39.52 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.39 -35.88 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.4 mtp85 -72.84 -16.13 61.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.64 -28.65 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.56 -7.89 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -9.4 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -65.6 -43.99 63.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.0 -178.34 4.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -92.73 -17.68 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.3 tt0 -128.91 147.0 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' CB ' HD23 ' A' ' 29' ' ' LEU . . . -134.52 147.03 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.61 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.36 129.89 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.3 t -111.56 113.62 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -135.0 150.53 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.471 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.2 t60 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -87.74 136.79 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 3.0 m -120.41 111.59 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -95.75 115.15 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' CD1' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -102.08 126.86 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -98.79 107.29 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -133.65 176.58 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -97.85 170.51 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.24 114.56 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.87 29.05 72.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 -33.23 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.04 163.91 32.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -87.32 -46.86 9.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.94 -4.99 8.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE1' HD13 ' A' ' 29' ' ' LEU . 11.7 p90 -137.28 168.83 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.0 p -120.33 177.57 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 70' ' ' ILE . 5.0 mt -103.38 160.38 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -140.78 151.53 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.83 175.7 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.51 -168.41 29.63 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -81.47 -43.1 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 4.3 mp -78.44 -175.34 4.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.68 -33.5 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -88.16 88.61 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.33 -44.31 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.44 120.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.432 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -60.56 152.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 p -138.48 175.92 9.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 HG23 ' CG2' ' A' ' 61' ' ' ILE . 45.6 t -82.43 96.58 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.499 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 10.9 t-160 -54.49 -60.92 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -145.86 157.1 43.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 t -123.54 96.05 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -38.8 152.08 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.77 9.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -116.26 86.09 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.04 -165.57 19.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.8 mt -95.84 -45.81 6.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.7 -19.15 15.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.54 -19.53 19.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -35.47 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.06 8.01 34.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -94.46 -48.79 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.2 mt -89.36 98.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.09 131.97 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -47.29 114.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.15 -10.14 10.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -74.96 -176.98 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -115.19 116.75 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.55 118.53 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -86.92 -50.2 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 p -148.74 167.56 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -142.41 119.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER 78.27 0.36 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.71 1.27 36.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 116.84 30.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.84 150.79 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.2 mt -83.26 103.51 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 13.02 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.84 26.49 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -57.28 140.05 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -71.98 162.59 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.516 ' CD2' HD21 ' A' ' 84' ' ' LEU . 66.7 t60 -48.98 -32.01 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -81.75 -60.76 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 7.5 m-20 -46.0 -27.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.73 -53.11 7.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.516 HD21 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -49.32 -52.45 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.8 -52.91 63.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.41 -39.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -68.5 -32.93 73.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mtt-85 -72.69 -12.84 61.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -94.04 -32.3 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.08 -8.76 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.459 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 6.8 mtt180 -98.04 -9.79 25.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -62.27 -43.03 84.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.03 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.6 mpt_? -107.58 -19.19 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.03 146.32 46.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.74 134.55 50.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.41 119.45 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.464 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 4.0 mp -128.05 126.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.73 120.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -139.3 163.39 32.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -70.92 153.16 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -135.1 114.08 12.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.3 mm -97.47 126.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.2 mm? -116.32 121.54 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -84.43 111.37 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' A' ' 91' ' ' ARG . 1.7 pttp -135.89 -173.72 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -117.63 166.81 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 102.93 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.08 31.52 17.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.94 -30.77 12.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.2 33.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -80.99 -46.84 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.41 -2.7 8.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE1' HD12 ' A' ' 29' ' ' LEU . 12.1 p90 -139.78 175.93 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -129.01 172.84 10.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.16 161.59 13.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.28 151.53 40.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 39' ' ' LEU . . . 65.0 -171.12 23.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.27 -150.26 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.03 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.44 -18.68 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD2' ' HA2' ' A' ' 35' ' ' GLY . 6.4 mp -83.5 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.37 -33.99 42.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLY . 78.3 m-20 -86.97 87.37 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -53.82 -20.36 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' CG1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -105.66 123.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.9 mp -65.92 110.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -96.53 170.0 9.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 61' ' ' ILE . 46.7 t -79.86 104.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -55.79 -61.45 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 109.646 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.41 94.54 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.6 m-30 -37.51 153.12 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.29 9.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -117.16 86.19 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.45 -164.07 15.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -96.01 -55.53 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.79 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.3 t -74.42 -51.27 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.57 -34.8 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.14 -59.32 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.85 -2.93 58.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -83.48 -44.22 14.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 46' ' ' VAL . 17.8 mt -87.96 90.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . 54.3 mt-30 -103.15 132.27 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.4 ttpp -44.32 111.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.59 16.17 6.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.447 ' OD1' ' HB2' ' A' ' 62' ' ' GLN . 28.0 m120 -108.84 139.65 43.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' A' ' 67' ' ' VAL . 4.5 tp10 -67.95 131.09 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 66' ' ' GLU . 89.4 t -100.16 86.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -43.13 -62.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -146.08 171.38 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CD1' HG11 ' A' ' 67' ' ' VAL . 46.3 mt -142.49 123.19 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.31 5.72 5.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.53 6.32 53.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.425 1.078 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -99.17 111.84 24.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 150.49 39.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 5.1 mt -84.24 102.44 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.37 11.49 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.54 27.01 3.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.76 143.15 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.38 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 p -75.48 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CD2' HD13 ' A' ' 84' ' ' LEU . 72.2 t60 -49.9 -45.67 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.6 t-160 -69.3 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.504 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 2.2 m-20 -45.91 -26.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.45 -48.11 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 80' ' ' HIS . 4.7 mt -50.55 -51.89 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.99 -52.4 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -33.09 70.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' ALA . 83.6 mtt180 -69.73 -13.51 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.401 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 21.5 mt-30 -93.46 -31.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.01 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -98.4 -5.98 31.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 3.8 mm-40 -68.74 -43.31 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 173.46 14.48 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' LYS . 8.2 mtm-85 -91.54 6.95 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -143.8 144.57 31.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.0 130.84 56.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.15 115.3 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.36 129.98 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.9 t -112.15 115.68 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 p -134.75 163.29 30.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -77.47 144.02 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 24.4 m -127.51 106.59 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' ' 22' ' ' HIS . 28.7 mm -97.26 108.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' CD2' ' CD1' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -92.56 133.2 36.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.558 ' CE1' HG21 ' A' ' 20' ' ' ILE . 5.6 m-70 -112.97 101.34 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -135.58 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.16 168.14 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.74 107.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.94 25.66 55.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -81.94 -33.29 30.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 163.2 35.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 31' ' ' PHE . 3.6 mt -85.74 -47.2 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 125.45 -5.6 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 29' ' ' LEU . 27.1 p90 -132.92 165.05 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 0.816 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.445 ' HB2' ' ND1' ' A' ' 47' ' ' HIS . 7.3 m -117.74 166.64 12.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 70' ' ' ILE . 4.1 mt -94.17 159.42 15.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.484 ' HB1' ' CA ' ' A' ' 47' ' ' HIS . . . -147.57 151.27 36.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.08 -160.88 29.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.16 -177.67 37.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -76.37 -50.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.31 -24.2 61.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.0 mp -72.51 176.56 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.43 -40.48 81.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -88.31 97.27 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -53.21 -46.0 68.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' CG2' ' OE2' ' A' ' 66' ' ' GLU . 7.1 p -88.18 124.07 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.453 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -60.7 152.42 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.2 p -138.64 172.36 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 61' ' ' ILE . 40.7 t -76.73 99.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -55.41 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -143.03 145.73 33.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.427 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 61.6 t -112.51 91.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.8 m-30 -38.29 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.8 14.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -115.26 84.59 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.82 -171.99 29.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' GLN . 17.7 mt -89.25 -50.85 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.4 -55.2 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -54.47 -41.27 69.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -69.45 -38.91 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 23.8 tp10 -58.86 -57.87 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.03 59.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.3 m -95.2 -49.15 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.4 mt -85.1 94.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -111.4 127.45 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -43.87 110.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.02 -11.68 7.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -75.01 177.85 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' OE2' ' CG2' ' A' ' 43' ' ' VAL . 6.3 tt0 -108.97 124.46 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -94.99 122.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.91 -50.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -151.99 164.02 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' A' ' 33' ' ' LEU . 85.8 mt -138.66 121.06 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.41 9.24 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.22 47.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -82.98 110.77 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.53 137.97 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 8.6 mt -79.8 97.27 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 13.33 10.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 117.25 26.85 2.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.74 142.49 49.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.426 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.0 p -75.46 177.89 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CD2' HD22 ' A' ' 84' ' ' LEU . 35.1 t60 -59.39 -42.46 91.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' ALA . 7.9 t-160 -73.78 -63.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 70.6 m-20 -43.9 -27.32 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.35 -58.36 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -43.74 -48.32 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -56.92 -56.83 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -45.43 -47.34 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.99 -29.0 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.6 mt-30 -78.27 -30.78 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.43 -7.5 47.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -98.25 -5.99 32.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.6 mm-40 -69.97 -44.11 21.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.0 Cg_endo -75.07 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -109.31 -11.58 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 7.9 tt0 -136.15 150.5 49.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' HD23 ' A' ' 29' ' ' LEU . . . -138.13 144.83 41.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.5 119.76 62.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 3.6 mp -123.53 119.88 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.7 t -100.57 113.78 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.8 p -130.74 154.11 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.83 133.5 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.491 ' OG1' ' CB ' ' A' ' 60' ' ' THR . 4.1 m -114.64 118.67 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 97' ' ' VAL . 25.9 mm -107.51 107.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 mm? -97.61 124.85 42.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -96.49 103.39 15.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -125.63 179.19 5.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -98.15 169.74 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.05 102.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.49 36.13 24.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.4 -33.09 14.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.89 165.26 27.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.85 -47.27 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 125.34 -1.57 8.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 29' ' ' LEU . 14.1 p90 -140.84 176.71 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -128.44 172.65 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.01 157.97 16.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.8 150.65 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 174.92 49.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.75 179.92 43.16 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -77.42 -41.17 40.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.62 -23.63 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 4.0 mp -81.75 -171.02 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.53 -30.59 33.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -87.57 88.15 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -52.6 -43.71 65.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.87 121.11 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.83 147.17 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.359 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.3 p -133.6 171.85 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 61' ' ' ILE . 47.5 t -75.17 101.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 4.5 t60 -57.25 -61.3 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -148.36 155.53 41.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 t -122.91 96.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.472 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.17 154.12 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.86 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.16 86.51 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.88 -167.16 19.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 2.1 mt -92.73 -48.83 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.01 -37.82 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -34.77 65.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.85 -46.83 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.05 -51.81 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.84 70.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.491 ' CB ' ' OG1' ' A' ' 19' ' ' THR . 3.9 m -68.11 -49.49 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 46' ' ' VAL . 12.0 mt -86.32 94.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.6 mt-30 -111.05 123.93 51.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLN . 5.3 ttpp -40.16 111.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.37 -13.87 8.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -169.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -118.21 121.21 39.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 46' ' ' VAL . 60.7 t -91.32 92.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.6 -47.91 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.8 p -146.43 170.81 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.18 121.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.3 t-20 68.38 9.2 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.39 8.27 50.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 120.57 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.43 151.15 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -87.54 106.06 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 13.41 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 117.07 26.49 2.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.492 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.61 144.39 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -73.93 167.95 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CD2' HD22 ' A' ' 84' ' ' LEU . 66.0 t60 -57.2 -26.11 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.405 ' C ' ' N ' ' A' ' 83' ' ' ALA . 10.1 t-160 -87.53 -61.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 76.7 m-20 -46.63 -25.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.05 -53.46 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.76 -54.76 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.5 -52.65 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -46.76 -39.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.28 76.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 35.4 mtt180 -72.26 -11.72 60.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -93.26 -29.02 15.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . . . -73.49 -7.68 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -6.66 33.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 39.2 mt-10 -66.58 -43.35 50.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.06 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.83 -8.57 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -129.03 144.7 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.82 130.41 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -112.8 110.99 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.63 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 t -114.39 113.4 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.8 p -134.26 142.58 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.46 ' NH1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.44 152.82 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.508 ' OG1' ' CB ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -128.18 119.79 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.426 HD13 ' NE2' ' A' ' 95' ' ' GLN . 19.3 mm -96.41 107.61 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -89.92 127.24 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.417 ' CE1' HG22 ' A' ' 20' ' ' ILE . 50.2 m-70 -101.87 108.06 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -142.02 -174.58 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -106.7 172.28 6.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.353 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.58 103.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.37 28.98 23.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.09 -33.04 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.73 164.42 32.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD11 ' CE1' ' A' ' 31' ' ' PHE . 2.3 mt -91.28 -46.12 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.24 -6.49 10.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CE1' HD11 ' A' ' 29' ' ' LEU . 17.5 p90 -133.47 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.1 177.61 5.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mt -104.6 160.34 15.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -144.32 151.94 40.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' HA3' ' ND2' ' A' ' 41' ' ' ASN . . . 79.9 178.54 51.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.99 -173.14 43.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -75.4 -44.87 42.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.56 -24.03 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 39' ' ' LEU . 7.8 mp -74.88 175.35 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.81 -41.15 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 12.4 p30 -88.31 107.82 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.57 129.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -70.0 153.87 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.1 p -138.85 172.68 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG2' HG22 ' A' ' 61' ' ' ILE . 39.3 t -78.47 98.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 15.3 t-160 -53.71 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -146.8 158.88 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 22.3 t -127.94 97.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -37.78 153.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.5 5.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -116.1 86.36 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.22 -163.79 13.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.451 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -96.33 -51.5 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 31' ' ' PHE . . . -46.9 -25.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 54' ' ' LEU . 1.6 t -88.49 -45.88 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.8 -44.21 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -2.81 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.508 ' CB ' ' OG1' ' A' ' 19' ' ' THR . 6.2 m -79.39 -48.83 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 HG22 ' CG2' ' A' ' 46' ' ' VAL . 9.4 mt -88.76 91.82 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 36.7 mt-30 -105.6 129.33 53.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -44.81 116.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -12.45 12.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 11.8 m120 -70.4 176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -109.95 117.88 34.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.68 105.67 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.412 ' CD2' ' HD2' ' A' ' 101' ' ' ARG . 5.5 mt -76.01 -50.91 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -153.12 168.0 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.7 mt -139.21 120.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 73.14 6.54 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.39 2.32 53.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 106.47 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.24 147.46 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.424 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 4.9 mt -83.23 105.36 14.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 13.27 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.58 26.55 3.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.84 142.23 41.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -76.45 159.83 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 84' ' ' LEU . 75.5 t60 -45.05 -45.97 11.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -67.56 -60.76 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 29.3 m-20 -47.9 -25.35 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.42 -50.17 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 80' ' ' HIS . 3.9 mt -51.97 -47.98 64.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.12 -56.8 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -33.09 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 54.7 mtp180 -72.54 -14.57 61.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 mt-30 -92.76 -28.31 16.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.421 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -72.23 -5.13 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -99.69 -3.67 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -75.7 -41.15 3.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.96 174.68 12.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -16.39 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.426 ' NE2' HD13 ' A' ' 20' ' ' ILE . 1.2 tm0? -129.04 148.51 51.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.2 132.14 39.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.05 122.7 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.86 120.47 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.0 t -99.18 113.91 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -133.76 156.22 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.412 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.5 t60 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.47 143.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.1 m -123.75 110.53 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.568 HG23 ' CE1' ' A' ' 22' ' ' HIS . 16.6 mm -86.51 107.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -91.98 128.77 37.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' HG23 ' A' ' 20' ' ' ILE . 33.9 m-70 -106.24 106.17 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.625 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.8 pttp -135.15 -174.6 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 3.0 mt-10 -102.44 171.29 7.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.08 102.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.59 42.47 21.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.22 -20.33 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.49 135.44 7.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 96' ' ' ALA . 80.9 mt -64.65 -47.85 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.8 -9.43 9.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' A' ' 29' ' ' LEU . 8.0 p90 -136.22 169.73 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -122.71 172.45 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.65 156.2 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.95 132.87 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 167.99 21.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.98 147.57 8.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -54.25 -34.84 61.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.0 -23.34 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -86.77 179.46 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.66 -30.14 69.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.5 p30 -93.72 134.97 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -17.13 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 t -101.03 114.06 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.8 mp -70.12 113.61 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.1 p -104.13 166.11 10.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.93 101.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 5.3 t-160 -52.94 -61.44 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.43 153.88 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -117.82 93.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -37.68 153.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.76 9.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -116.41 85.69 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.71 -170.2 27.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.7 mt -91.71 -52.08 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.79 -30.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -50.6 12.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.25 -49.04 77.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.28 -41.43 84.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.82 -1.11 63.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.433 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.2 m -78.04 -48.86 15.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.2 mt -81.12 90.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 77.8 mt-30 -100.83 138.39 37.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -48.72 131.61 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.31 -16.15 60.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 2.4 m120 -59.64 156.64 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 2.3 tt0 -93.54 110.64 22.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 70' ' ' ILE . 97.1 t -84.71 84.53 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt -48.97 -52.98 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.42 170.22 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -133.93 105.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 82.82 -2.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -7.32 11.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 116.9 28.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 155.53 27.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -91.23 102.62 15.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.38 14.43 8.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 119.12 27.62 2.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.13 144.86 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -72.32 -179.13 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CD2' HD23 ' A' ' 84' ' ' LEU . 70.3 t60 -66.73 -35.64 80.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -81.12 -57.31 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 81.2 m-20 -43.93 -29.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.99 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.74 -54.51 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.41 -55.22 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.53 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ALA . 53.1 mtt180 -69.53 -14.17 62.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -91.18 -31.24 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.15 -7.61 50.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -97.94 -7.27 30.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.5 mm-40 -67.96 -43.81 38.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -167.95 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' CG ' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -104.46 -18.71 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 8.5 tt0 -126.72 149.86 49.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -140.48 140.49 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.542 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -116.89 115.53 49.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.63 117.86 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.49 117.45 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 p -141.75 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -84.22 150.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' CD2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -130.49 128.57 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.567 HG22 ' CE1' ' A' ' 22' ' ' HIS . 11.6 mm -111.56 108.41 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 98' ' ' ILE . 0.5 OUTLIER -93.67 136.62 33.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 20' ' ' ILE . 14.3 m-70 -116.34 106.86 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -134.69 165.2 25.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.48 163.38 25.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.99 106.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.58 61.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -77.64 -33.04 53.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.45 161.98 36.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -83.77 -37.86 22.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 117.01 0.68 19.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 29' ' ' LEU . 13.0 p90 -145.72 170.85 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.03 172.87 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 70' ' ' ILE . 4.4 mt -99.61 156.24 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -142.19 150.97 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA3' ' ND2' ' A' ' 41' ' ' ASN . . . 82.63 177.54 51.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.89 178.89 48.77 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.48 -44.0 75.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -72.79 -23.95 60.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' LEU . 7.0 mp -76.85 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.21 -38.87 92.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 7.3 p30 -91.77 106.34 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -58.31 -45.85 87.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -82.02 136.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.53 140.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.4 p -125.74 169.1 12.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' CG2' HG23 ' A' ' 61' ' ' ILE . 41.8 t -72.37 101.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 9.2 t-160 -54.51 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -149.29 154.89 39.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 t -120.86 96.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.5 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.69 9.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -117.28 86.33 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.24 -174.54 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' GLN . 8.3 mt -89.94 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.26 -25.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -35.43 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -74.33 -41.85 60.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.01 -49.6 75.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.65 72.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -84.5 -48.04 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.445 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.4 mt -90.55 91.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 35.5 mt-30 -105.75 132.21 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CE ' ' HG3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -42.17 134.4 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.66 -23.01 37.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 13.2 m120 -60.33 165.77 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 45' ' ' THR . 5.3 tt0 -102.43 119.4 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -85.55 122.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.15 -50.33 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -157.01 166.71 32.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 31.7 mt -145.79 123.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t-20 82.25 -2.4 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.94 6.87 42.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -103.85 110.65 22.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 153.36 40.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.79 105.41 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 13.43 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.23 26.4 3.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.67 143.06 56.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.386 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.0 p -66.51 -167.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -75.39 -36.47 60.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.7 t-160 -77.37 -66.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.481 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 4.0 m-20 -40.66 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -85.38 -46.8 10.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -60.21 -44.33 95.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.64 -57.06 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -45.25 -43.58 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.53 -36.05 79.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -70.24 -26.84 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.2 mt-30 -84.02 -30.62 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.77 -8.29 55.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.39 -5.87 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 65.9 mt-10 -64.44 -42.87 69.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.98 174.03 13.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -12.98 52.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 5.1 tt0 -133.42 149.0 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -137.5 151.18 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.5 t -120.91 126.09 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 21' ' ' LEU . 3.2 mp -134.58 127.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.9 t -103.71 115.06 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.4 p -136.01 151.41 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 t60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.12 147.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.483 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 0.5 OUTLIER -118.57 119.66 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 97' ' ' VAL . 47.7 mm -117.89 108.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 19' ' ' THR . 3.7 mm? -112.2 130.46 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -101.17 100.64 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 pttp -115.4 -179.86 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.8 mt-10 -97.4 161.52 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 94' ' ' ARG . 2.6 mm-40 -43.45 120.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.35 35.25 43.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -78.25 -33.34 49.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.82 167.05 28.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 31' ' ' PHE . 12.4 mt -93.96 -47.45 6.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.24 -9.9 11.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -127.71 169.94 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -126.96 173.34 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.041 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 70' ' ' ILE . 6.1 mt -97.54 161.79 13.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -131.42 151.49 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' OD1' ' A' ' 41' ' ' ASN . . . 53.02 -163.68 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.16 -141.62 3.17 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -101.45 -53.11 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -80.02 -13.22 59.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.16 179.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.94 -34.61 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' OD1' ' HA3' ' A' ' 35' ' ' GLY . 2.3 p30 -109.97 171.53 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 9.9 tptp -113.9 -44.42 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -87.48 118.91 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.7 153.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.6 p -140.07 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 t -75.97 96.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 3.7 t-160 -53.92 -57.37 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.66 159.08 43.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.21 97.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.8 m-30 -37.5 152.24 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.03 11.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.89 86.31 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.93 -169.47 24.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -91.96 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.03 -34.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -46.61 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -48.77 72.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -67.27 -57.21 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.2 5.58 58.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.483 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.7 m -74.59 -47.09 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 19' ' ' THR . 11.3 mt -96.68 97.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.484 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 34.9 mt-30 -108.13 143.86 36.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 132.5 27.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.58 14.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 18.6 m120 -54.01 171.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.7 127.27 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -100.27 114.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.25 -47.45 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 p -147.84 166.62 27.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CD1' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -144.33 121.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 79.36 -0.53 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.07 2.52 39.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -103.11 118.46 36.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.98 158.94 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.938 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.11 104.71 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 12.28 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.98 26.64 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.45 139.82 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 p -75.33 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 84' ' ' LEU . 42.2 t60 -63.38 -40.58 97.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -74.24 -59.13 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.491 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 3.3 m-20 -49.67 -25.61 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.4 -53.6 5.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -50.09 -47.88 53.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.06 -58.24 9.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.82 -41.73 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -64.84 -34.57 78.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.9 ptt180 -70.25 -29.7 66.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.4 mt-30 -79.31 -30.76 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -71.29 -7.73 48.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.16 -9.7 32.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 73.5 mt-10 -61.44 -43.52 89.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.5 Cg_endo -74.93 175.23 11.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mpt_? -92.69 -11.66 33.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' CD ' HG23 ' A' ' 20' ' ' ILE . 7.6 tt0 -130.69 143.3 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.41 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -122.57 111.8 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 19' ' ' THR . 3.9 mp -124.07 138.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.5 t -116.81 113.4 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.4 p -131.23 157.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -178.89 163.11 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -151.85 113.48 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.95 -178.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -160.34 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.014 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.98 170.22 15.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.167 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.86 112.33 3.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.37 168.32 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 9' ' ' THR . 4.6 m -82.17 53.15 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -137.43 169.85 17.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.74 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.24 76.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.87 120.01 12.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.64 167.85 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.14 47.06 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 5.0 mm -112.12 134.59 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -133.26 111.43 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.9 142.93 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 0.9 OUTLIER -121.93 112.43 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 22' ' ' HIS . 21.4 mm -93.97 107.7 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.87 129.24 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' CE1' HG21 ' A' ' 20' ' ' ILE . 10.9 m-70 -108.36 103.88 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -132.66 -174.43 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.13 163.36 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.06 102.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.14 34.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.78 -17.59 19.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 149.84 16.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 96' ' ' ALA . 98.7 mt -76.63 -46.96 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 121.48 -11.96 9.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -131.48 169.09 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -123.55 164.83 18.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mt -93.69 156.3 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.84 151.18 42.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.56 176.34 50.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.21 -171.75 40.29 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.48 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -83.11 -45.3 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.52 -11.94 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.8 mp -88.46 -178.39 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.36 -26.01 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.4 p30 -100.36 96.73 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.48 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 2.1 tptp -56.71 -45.89 81.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.7 p -81.39 126.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.72 136.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.0 p -121.96 173.09 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 61' ' ' ILE . 45.7 t -75.57 102.75 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 4.5 t60 -54.9 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.96 157.06 42.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' PHE . 11.8 t -124.11 95.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.5 m-30 -37.34 154.18 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.24 6.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -116.96 86.4 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.15 -174.96 26.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.19 -46.2 9.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.41 -53.84 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -60.49 -46.6 89.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.11 -53.28 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.97 -56.16 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 62' ' ' GLN . . . 97.21 7.21 57.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.502 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.2 m -86.14 -47.39 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG22 ' CG2' ' A' ' 46' ' ' VAL . 21.3 mt -88.97 91.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' LYS . 64.2 mt-30 -106.91 133.31 51.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -37.38 132.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.05 -25.78 26.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.15 165.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 101' ' ' ARG . 5.7 tt0 -102.89 121.76 43.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.0 t -94.37 99.8 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 mt -74.03 -46.74 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -154.49 164.16 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.488 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 29.3 mt -142.54 115.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t-20 81.16 11.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.81 2.48 64.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 110.99 22.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -78.24 148.31 34.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.5 104.11 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 12.72 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.01 26.78 2.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.494 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.93 144.37 49.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.382 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.7 p -69.74 -166.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' CD2' HD12 ' A' ' 84' ' ' LEU . 70.4 t60 -75.08 -45.09 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.586 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 83' ' ' ALA . 2.2 t-160 -70.23 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 9.1 m-20 -38.83 -30.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . -80.23 -54.23 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD12 ' CD2' ' A' ' 80' ' ' HIS . 4.6 mt -49.84 -48.34 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.81 -57.33 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.8 -35.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.77 -35.36 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ALA . 10.3 mtp180 -72.37 -14.04 61.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.74 -29.34 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.47 56.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -97.69 -8.67 28.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.9 mm-40 -63.36 -43.12 78.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -179.4 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -21.64 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -122.63 151.56 41.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -138.9 142.46 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.65 117.91 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.3 126.0 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 16' ' ' ILE . 14.5 t -102.86 113.72 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.3 p -134.32 157.68 45.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.536 ' CG ' ' CD1' ' A' ' 16' ' ' ILE . 5.6 mtp180 -106.08 158.75 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.93 102.36 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.25 162.52 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.6 p -108.21 159.75 29.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -147.25 134.8 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 47.63 79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.2 ptt? -46.74 127.41 8.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 170.86 19.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -97.41 100.02 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.17 57.62 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 t30 171.18 157.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -173.17 150.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 p -42.37 106.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -141.64 -168.05 11.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.26 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.9 p -121.3 170.52 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.07 163.26 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -93.75 170.24 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -131.08 -58.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.94 121.68 4.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -93.84 122.48 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -176.12 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.13 57.3 3.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.19 108.13 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m 46.21 52.42 10.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -153.79 172.22 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.52 124.63 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -177.41 160.01 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp -158.45 154.17 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -42.21 -43.73 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.52 36.67 91.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 3.1 mm -112.04 154.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.96 116.74 10.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.96 151.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' HD11 ' A' ' 61' ' ' ILE . 1.1 m -131.45 102.4 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.543 HG22 ' CE1' ' A' ' 22' ' ' HIS . 22.2 mm -96.28 107.61 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.01 127.06 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.543 ' CE1' HG22 ' A' ' 20' ' ' ILE . 31.6 m-70 -99.14 104.3 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE3' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -141.3 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.07 172.35 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.14 103.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.89 42.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.6 -33.3 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.32 163.91 25.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.515 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 2.1 mt -98.72 -47.13 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.39 -6.48 9.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p90 -132.59 168.66 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.47 171.43 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 70' ' ' ILE . 3.5 mt -94.96 159.03 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -136.69 151.66 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -178.12 23.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -168.15 -159.03 12.93 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -90.82 -42.98 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.24 -15.96 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 2.2 mp -84.97 -174.9 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.77 -31.34 46.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-20 -88.71 82.66 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.4 tptt -52.36 -27.18 14.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 p -101.89 118.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -64.12 142.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.1 p -132.26 172.33 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.4 t -75.57 99.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 23.5 t-160 -55.91 -61.47 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 162.29 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' PHE . 13.2 t -130.6 95.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.3 m-30 -36.84 153.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.98 86.19 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.29 -172.08 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 2.2 mt -93.5 -44.01 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . . . -41.34 -34.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -43.43 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -41.48 -52.1 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -60.03 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 3.8 57.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -88.38 -45.35 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 HD11 ' CG2' ' A' ' 19' ' ' THR . 5.4 mt -83.6 96.16 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 42.6 mt-30 -112.66 136.82 51.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -49.52 115.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -14.96 9.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 27.2 m120 -71.82 170.02 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -103.63 118.68 37.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -90.24 102.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.02 -51.11 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -150.26 166.85 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 33' ' ' LEU . 24.9 mt -142.08 119.74 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 90' ' ' ALA . 0.7 OUTLIER 74.19 9.66 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.81 2.68 58.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.87 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.62 146.97 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.5 mt -83.63 97.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.65 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 27.21 2.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.492 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.54 144.26 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -74.03 152.5 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.567 ' CD2' HD12 ' A' ' 84' ' ' LEU . 78.0 t60 -40.06 -47.04 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.613 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 83' ' ' ALA . 10.5 t-160 -68.67 -61.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 53.2 m-20 -43.3 -27.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.43 -51.72 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 80' ' ' HIS . 4.2 mt -48.55 -48.78 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.02 -55.88 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -47.18 -36.55 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -71.42 -36.54 71.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -75.17 -9.71 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -97.25 -30.07 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . . . -71.69 -8.14 52.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -12.28 23.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.9 mm-40 -59.19 -43.29 96.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 178.31 7.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -92.47 5.19 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -145.76 154.12 41.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.04 140.04 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 114.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.77 117.58 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.66 113.9 33.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 27.6 p -135.48 151.37 50.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.484 ' CG ' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -97.42 158.22 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -75.72 106.71 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mt -115.96 141.6 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.2 p -73.13 157.38 88.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.87 61.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.78 162.32 26.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -78.76 157.76 76.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 127.73 10.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.18 110.39 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.4 mt -55.13 174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.78 141.12 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.74 144.76 39.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.7 p -124.88 168.92 12.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.27 105.08 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.94 28.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.27 160.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.13 163.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.37 92.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -170.61 165.58 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.67 132.47 3.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -138.36 131.77 30.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 p -172.74 131.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.13 171.39 23.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.37 84.47 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -93.6 127.8 39.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.22 94.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -112.45 -34.67 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 172.66 166.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.95 112.84 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 61.44 21.67 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.44 35.43 91.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 16.3 mm -92.59 131.48 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -138.91 123.43 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.8 152.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.16 130.73 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.438 ' CD1' HG22 ' A' ' 97' ' ' VAL . 20.2 mm -95.41 108.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -91.61 129.55 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.418 ' CE1' HG23 ' A' ' 20' ' ' ILE . 15.3 m-70 -109.07 107.5 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -137.0 170.0 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -83.23 169.89 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 34.28 59.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -80.38 -32.71 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 163.22 29.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 31' ' ' PHE . 4.2 mt -92.89 -41.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.74 -9.66 12.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 29' ' ' LEU . 9.7 p90 -132.33 169.28 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -124.26 170.52 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 70' ' ' ILE . 3.2 mt -95.88 156.79 16.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.27 151.04 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.91 179.32 52.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 173.99 42.08 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.02 -44.89 75.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -73.6 -23.51 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 80' ' ' HIS . 6.0 mp -79.6 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.54 -31.73 42.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -93.94 101.85 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -59.11 -44.87 92.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.05 119.37 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 1.8 mp -62.52 139.76 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 p -129.65 171.0 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 61' ' ' ILE . 47.3 t -73.43 101.03 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 7.7 t-160 -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.41 151.66 30.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 t -115.54 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -38.67 154.19 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.73 8.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -116.67 86.41 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.15 -170.67 25.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -94.98 -49.05 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.21 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -76.48 -39.27 53.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -65.4 -44.87 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 23.1 mm-40 -58.29 -47.34 83.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.6 -0.9 87.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -81.66 -48.07 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 46' ' ' VAL . 12.0 mt -90.59 91.45 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.3 mt-30 -106.77 128.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 130.59 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.96 -18.22 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 12.9 m120 -65.81 176.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CB ' HD12 ' A' ' 103' ' ' LEU . 2.5 tt0 -111.21 124.79 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.6 t -93.88 120.04 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.41 -49.41 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -158.67 160.49 36.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CD1' HD21 ' A' ' 33' ' ' LEU . 40.0 mt -133.83 118.09 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.51 12.13 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -6.58 52.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.89 107.29 6.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -82.15 140.73 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -84.85 91.12 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 14.59 9.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.6 26.97 2.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.495 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -68.07 149.05 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.374 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.3 p -77.93 166.54 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t-160 -52.65 -39.45 61.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -70.79 -58.77 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.495 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 33.7 m-20 -56.0 -21.83 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -97.58 -25.58 15.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -80.9 -49.84 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.09 -52.39 65.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.94 -37.26 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.82 -36.26 80.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' ALA . 16.7 mtp180 -70.84 -11.82 61.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.467 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 18.8 mt-30 -97.87 -31.0 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.76 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.82 -9.34 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.8 mm-40 -58.54 -43.14 97.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.03 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 2.0 mtt180 -107.39 -6.63 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -135.1 157.09 47.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.24 144.83 31.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -118.77 117.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.25 112.51 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 5.1 t -93.21 117.69 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.2 p -138.28 154.57 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.96 157.2 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -80.24 112.16 17.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 66' ' ' GLU . 14.3 mt -89.57 -179.81 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -37.57 153.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -108.29 -29.55 8.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 61.68 111.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.4 ptp -160.28 151.03 15.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.11 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.98 117.27 23.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.29 -176.72 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.82 162.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.46 -53.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.2 m 61.79 121.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 77.24 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.66 5.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.7 t -154.82 159.4 40.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -123.45 153.08 40.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.73 165.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -137.88 170.39 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.05 -153.38 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -153.11 169.04 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.4 158.13 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.97 -83.64 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.77 173.39 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -128.33 116.85 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.14 112.32 9.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.86 123.21 38.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.86 145.36 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 177.68 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.83 88.67 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.67 55.35 14.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.15 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 7.5 mm -118.68 121.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -126.53 125.78 42.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.12 150.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -133.01 109.19 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 97' ' ' VAL . 16.5 mm -88.22 109.23 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.27 123.25 36.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -101.0 105.48 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -136.33 170.44 16.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -86.67 168.46 13.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.5 102.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.04 36.29 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.62 -33.31 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.46 166.12 35.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 31' ' ' PHE . 5.5 mt -93.49 -45.69 7.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.763 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 120.52 -6.66 11.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' A' ' 29' ' ' LEU . 23.2 p90 -131.39 167.03 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.9 t -118.95 168.53 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -97.9 159.09 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -146.46 145.69 30.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.91 -175.57 43.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' N ' HD22 ' A' ' 39' ' ' LEU . . . 159.36 -179.82 34.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -82.86 -23.02 33.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.29 -21.14 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 36' ' ' GLY . 0.0 OUTLIER -104.89 -148.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -97.86 -32.9 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -81.86 91.73 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.56 -44.82 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.79 132.69 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.03 141.95 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 p -127.37 171.65 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 61' ' ' ILE . 34.0 t -77.17 100.96 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 2.6 t-160 -55.11 -61.08 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.561 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 157.47 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' PHE . 18.2 t -125.58 95.84 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.8 m-30 -37.67 154.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.41 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -115.32 86.58 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.49 -170.21 21.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -95.35 -45.82 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -44.32 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -69.68 -44.41 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -48.21 68.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 6.7 tp10 -58.36 -40.09 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.86 89.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -46.97 9.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 46' ' ' VAL . 14.3 mt -90.44 96.92 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -110.64 131.25 55.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -38.3 133.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.53 -14.16 64.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.34 171.81 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CB ' HD11 ' A' ' 103' ' ' LEU . 2.5 tp10 -102.77 132.58 48.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 70' ' ' ILE . 67.4 t -105.34 89.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.51 -49.71 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 p -150.39 168.74 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.484 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.8 mt -144.93 118.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER 81.98 1.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.32 49.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -107.0 116.32 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 155.36 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mt -89.52 111.14 21.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 12.19 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.42 26.29 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -50.74 144.92 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 5.0 p -72.73 172.73 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.568 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.439 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.5 t-160 -71.51 -60.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.542 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 85.4 m-20 -41.27 -29.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.33 -61.04 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mt -42.84 -43.36 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.93 -55.15 37.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.29 -50.59 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -32.84 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -73.88 -27.49 61.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -85.11 -27.78 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.401 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.5 -7.77 55.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 -5.25 34.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 43.9 mt-10 -71.22 -43.26 12.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.05 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.56 -8.57 26.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' A' ' 20' ' ' ILE . 2.5 tt0 -130.67 146.22 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.08 134.93 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -115.44 116.64 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.95 122.77 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.455 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 3.0 t -100.28 113.65 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 66' ' ' GLU . 42.8 p -137.18 165.86 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -128.8 154.5 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -68.81 112.21 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 66' ' ' GLU . 12.2 mt -111.21 136.96 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.2 p -44.7 159.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.93 10.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -108.79 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.99 172.6 12.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 ttt -132.47 123.18 18.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -158.42 126.93 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.67 -178.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.45 165.41 25.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.1 m -99.96 169.91 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.45 -61.64 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.39 174.66 13.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.12 147.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t 65.08 162.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.042 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.956 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 178.62 170.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 176.32 160.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.91 143.35 4.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.47 130.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 110.031 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.75 166.24 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.22 130.6 1.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.0 141.79 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 m -161.06 81.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -87.73 136.6 32.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.16 -172.1 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' N ' HD12 ' A' ' 13' ' ' LEU . 2.0 mt-30 -106.6 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.652 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 176.25 173.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 75.24 -70.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.83 20.3 29.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 17.4 mm -86.79 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -129.32 121.26 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.84 140.78 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.88 126.75 38.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 97' ' ' VAL . 34.7 mm -102.48 108.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -88.83 126.79 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.04 105.22 15.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -138.59 175.37 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.7 166.39 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -56.9 103.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.01 27.89 30.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -83.69 -32.82 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.38 162.91 38.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.555 HD11 ' CE1' ' A' ' 31' ' ' PHE . 1.8 mt -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 117.6 -3.66 17.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 29' ' ' LEU . 22.7 p90 -137.25 167.98 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.44 177.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' ILE . 5.1 mt -100.78 157.6 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -140.69 149.83 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 177.4 51.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.99 -165.75 30.44 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -83.65 -41.66 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.8 -18.63 61.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 5.1 mp -82.25 -176.3 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.56 -35.24 34.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -88.4 87.45 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 6.6 tppt? -53.1 -30.76 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 p -93.82 113.78 29.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -60.94 140.96 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.9 p -126.94 176.32 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 61' ' ' ILE . 58.4 t -77.94 103.79 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.47 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 23.6 t-160 -57.93 -61.15 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.73 155.77 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -123.49 97.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -39.82 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.84 7.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -116.61 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.36 -172.9 26.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -90.74 -46.29 8.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.37 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 -42.16 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.68 -47.71 81.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.9 -42.05 97.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.44 13.39 83.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -90.05 -48.75 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.7 mt -90.54 98.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -115.12 131.4 56.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.42 120.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.42 -22.14 11.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 167.98 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.92 114.17 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.62 105.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.65 -48.43 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -155.17 165.25 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 33' ' ' LEU . 39.6 mt -142.34 123.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.2 t-20 77.27 1.33 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.15 49.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -100.43 113.62 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.09 149.53 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.3 mt -83.07 104.39 13.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 13.41 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.85 26.31 3.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.487 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.37 146.41 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.398 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 1.2 p -74.17 157.46 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.576 ' CD2' HD12 ' A' ' 84' ' ' LEU . 81.0 t60 -43.97 -49.23 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.633 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -67.31 -61.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 6.2 m-20 -43.37 -28.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -51.3 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 80' ' ' HIS . 3.8 mt -51.51 -47.75 63.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.93 -55.02 33.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.64 -35.04 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.52 -36.12 68.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 10.6 mtt180 -73.63 -10.09 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.78 -26.64 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.41 -7.39 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -8.21 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 56.4 mt-10 -64.84 -43.63 69.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 176.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -2.77 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.425 ' NE2' HD13 ' A' ' 20' ' ' ILE . 4.1 tt0 -132.84 146.1 51.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.45 134.57 35.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.91 121.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.4 mp -129.41 117.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.529 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 3.1 t -97.11 114.94 35.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -138.6 159.91 40.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.44 158.37 31.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -78.96 114.96 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt -104.64 -162.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 p -59.88 160.3 16.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -126.3 173.3 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.34 -59.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.9 ttt 43.32 92.76 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.19 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.17 93.11 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 mp -47.78 -63.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.16 164.99 15.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.7 80.11 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 m -92.26 168.73 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.71 157.47 27.27 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.87 30.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.56 1.821 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.4 m -175.39 167.13 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -176.21 165.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 140.63 23.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.36 98.67 9.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.08 -174.8 47.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -151.13 -177.76 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.978 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -46.15 118.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.94 -158.42 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.85 149.2 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.2 m -53.53 122.62 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.04 100.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -48.89 156.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -112.03 98.55 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.36 -166.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.68 88.27 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 101' ' ' ARG . . . 51.61 54.79 23.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.497 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 6.2 mm -122.45 122.07 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -127.22 124.32 38.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -79.87 145.83 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.86 120.37 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' CG2' ' A' ' 97' ' ' VAL . 26.5 mm -98.62 107.73 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -95.69 122.14 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.444 ' CE1' HG22 ' A' ' 20' ' ' ILE . 12.2 m-70 -99.96 110.78 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.635 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -139.66 -175.96 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.45 169.41 11.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 4.9 mt-10 -69.25 100.74 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.74 4.13 59.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.521 ' CB ' ' HG2' ' A' ' 24' ' ' GLU . . . -64.86 -33.3 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.85 164.58 37.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 31' ' ' PHE . 2.4 mt -87.84 -39.37 14.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.38 -2.69 16.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 29' ' ' LEU . 19.7 p90 -138.3 168.03 20.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -121.74 176.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -100.87 157.79 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -143.58 151.54 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.49 175.89 50.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.28 41.24 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -79.59 -48.2 14.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -72.73 -7.44 50.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -91.7 -167.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.97 -22.39 25.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.63 86.92 3.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -52.35 -33.85 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.62 116.15 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.84 145.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.1 p -132.68 170.96 14.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.425 HG23 ' CG2' ' A' ' 61' ' ' ILE . 41.1 t -72.59 101.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 13.3 t-160 -53.96 -60.98 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -151.09 157.81 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.93 99.78 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.8 m-30 -41.01 153.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.68 9.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -116.86 85.87 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.39 -178.0 33.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -86.21 -47.04 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.41 -28.63 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -38.13 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.16 -45.77 90.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.05 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 9.22 82.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 -48.59 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.437 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' CG2' HG23 ' A' ' 46' ' ' VAL . 11.8 mt -88.63 92.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -107.99 133.96 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -38.0 132.76 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -25.29 28.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.17 174.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' CB ' HD11 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -106.17 122.59 46.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.4 t -97.82 89.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.46 -48.77 78.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.0 p -147.98 168.02 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -137.63 113.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 76.88 9.47 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.73 -0.92 52.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -93.96 118.66 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.95 150.58 28.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.61 106.27 16.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 13.16 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 26.41 3.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -58.83 142.43 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.444 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 p -72.12 -167.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CD2' HD22 ' A' ' 84' ' ' LEU . 36.0 t60 -72.33 -42.24 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.8 t-160 -75.83 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 89.1 m-20 -42.88 -29.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.44 -56.18 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -45.1 -50.96 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.78 -53.49 57.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.42 -39.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.01 -34.56 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.4 mtt-85 -69.07 -17.53 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -87.57 -27.61 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.52 -6.53 57.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 -5.38 38.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 25.9 mt-10 -75.05 -44.59 4.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.03 175.56 11.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 3.9 mtp180 -91.91 -4.46 54.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 9.3 tt0 -135.68 148.61 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -141.88 125.75 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -100.71 116.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.2 121.3 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 6.0 t -100.8 113.71 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 66' ' ' GLU . 41.3 p -136.38 176.37 8.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -139.2 150.82 46.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -66.15 110.59 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.524 ' O ' ' OG1' ' A' ' 104' ' ' THR . 41.9 mt -102.71 141.44 35.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 103' ' ' LEU . 59.5 p 52.65 162.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 179.66 5.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.96 73.31 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.67 87.14 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtp -118.46 82.49 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.13 116.4 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 27.2 t30 40.21 79.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 164.69 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 m -138.37 97.18 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.7 157.51 28.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.72 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.6 p -130.81 164.73 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.0 p -131.66 161.58 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -170.75 164.44 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.4 167.16 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.18 143.48 3.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -177.85 170.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t 65.09 150.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.04 -113.78 1.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.71 171.82 7.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -105.79 120.19 41.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.36 171.19 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 mttm 66.32 120.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -85.32 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.43 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.11 145.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -103.62 48.07 1.05 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 2.4 mm -117.84 145.0 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -137.57 119.83 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 p -76.38 141.49 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.497 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.2 m -123.25 112.31 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' CD1' HG21 ' A' ' 97' ' ' VAL . 38.6 mm -95.18 121.76 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -109.55 128.06 54.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -142.3 172.28 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.3 167.8 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.03 102.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.91 28.98 27.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.04 -33.47 21.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.54 163.6 34.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD13 ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -88.79 -46.94 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.01 -2.63 9.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' ' 29' ' ' LEU . 18.1 p90 -137.8 168.99 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.3 176.07 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 70' ' ' ILE . 4.9 mt -102.03 157.45 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.94 151.46 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 41' ' ' ASN . . . 79.19 174.6 45.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.03 -168.47 31.95 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -82.71 -46.19 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.49 -13.36 61.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.57 -174.37 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.01 -34.45 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 9.1 p30 -94.84 95.88 8.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.3 tptt -53.37 -45.12 69.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 p -82.05 124.25 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -67.87 145.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 p -128.74 175.96 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 61' ' ' ILE . 57.5 t -79.54 106.3 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 8.0 t-160 -62.18 -61.5 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.62 151.66 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -120.3 95.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.9 m-30 -37.58 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.34 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.59 86.36 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.96 -175.1 30.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -51.28 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.45 -27.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -82.36 -50.77 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -53.92 -45.19 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.09 -62.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.19 1.38 44.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.497 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.4 m -78.16 -45.62 22.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 46' ' ' VAL . 3.6 mt -95.23 97.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.6 mt-30 -115.43 127.71 55.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -43.07 110.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.93 -10.04 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 29.2 m120 -79.03 -175.1 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -114.99 131.22 56.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.236 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.42 112.92 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mt -84.79 -47.54 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -152.66 166.11 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' CD1' HD22 ' A' ' 33' ' ' LEU . 6.5 mt -141.4 117.9 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 80.06 0.22 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.28 1.61 38.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 114.23 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.44 149.24 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.439 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.8 mt -83.0 107.61 15.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 12.17 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.78 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.373 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -72.49 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.492 ' CD2' HD13 ' A' ' 84' ' ' LEU . 85.2 t60 -52.72 -40.67 63.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.458 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -71.69 -67.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.553 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 80.5 m-20 -38.77 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -76.24 -55.57 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 80' ' ' HIS . 5.0 mt -46.35 -48.05 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.55 -57.37 12.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -38.56 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.2 -34.72 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.4 mtp180 -71.14 -18.01 62.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -86.96 -24.82 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -80.99 -6.9 59.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -100.09 -4.91 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.68 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.79 -39.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.17 -13.51 13.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' NE2' HD13 ' A' ' 20' ' ' ILE . 1.9 tt0 -129.3 146.44 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 29' ' ' LEU . . . -133.8 132.64 40.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -110.51 118.48 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.14 121.14 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.0 t -103.02 114.66 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.1 p -135.82 159.24 42.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.425 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -96.91 160.4 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.89 104.5 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt -114.38 139.96 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -96.94 156.39 36.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.89 159.27 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -110.55 98.83 38.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.06 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.36 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.11 -72.36 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.68 166.75 11.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.3 t -90.06 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.3 158.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.24 64.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.22 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.6 p -150.76 170.47 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.9 p -50.74 162.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.91 105.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 155.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.66 148.79 7.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -178.12 159.08 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -151.3 156.48 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.22 -165.05 31.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.96 127.45 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.744 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 m 63.13 122.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 pp -123.34 112.82 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.52 -71.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -139.29 -47.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.98 92.53 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t70 175.55 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.96 79.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 2.5 mm -112.91 122.54 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -118.93 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -73.74 149.23 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.492 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.2 m -133.43 102.73 5.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.55 HG22 ' CE1' ' A' ' 22' ' ' HIS . 18.7 mm -85.02 109.64 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.447 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.3 OUTLIER -96.32 125.46 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.55 ' CE1' HG22 ' A' ' 20' ' ' ILE . 5.0 m-70 -105.6 110.66 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.47 177.58 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -97.45 169.79 9.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 6.8 mm-40 -50.82 122.12 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 53.66 31.97 46.12 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -33.37 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.46 162.9 32.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 31' ' ' PHE . 1.9 mt -87.64 -47.46 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.561 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.3 -4.95 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 29' ' ' LEU . 16.1 p90 -135.07 168.97 18.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.8 t -122.99 172.2 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 70' ' ' ILE . 2.3 mt -97.58 158.44 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' THR . . . -138.12 151.76 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.42 -166.95 14.22 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -160.09 -144.19 3.89 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.52 -41.06 6.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -93.04 -4.12 53.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.03 167.94 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -37.75 -36.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 43' ' ' VAL . 30.2 p-10 -106.35 150.11 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' NZ ' ' HA2' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -97.03 -29.4 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -102.58 124.16 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.8 mp -59.64 121.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 21.5 p -101.85 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 t -79.86 101.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -52.76 -61.06 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.51 158.27 43.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' PHE . 16.8 t -126.0 95.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -36.51 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.46 10.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -117.22 85.78 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.32 -168.72 22.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -94.81 -45.75 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.54 18.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -80.87 -42.08 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.41 -42.08 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 24.3 mm-40 -66.52 -46.2 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.86 -5.26 76.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.492 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.1 m -71.05 -48.33 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 31.4 mt -86.86 90.86 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 47.0 mt-30 -98.26 139.79 33.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.21 128.7 25.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.01 14.95 53.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 45' ' ' THR . 1.4 m120 -86.2 176.68 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.52 94.8 5.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 30.0 t -72.31 108.96 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD21 ' NH1' ' A' ' 101' ' ' ARG . 5.8 mt -76.53 -52.71 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 p -147.95 156.28 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CD1' HD23 ' A' ' 33' ' ' LEU . 8.5 mt -134.28 128.56 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.1 t-20 64.82 13.02 8.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 -1.44 61.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -86.78 117.49 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -86.33 145.65 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -84.0 97.15 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 14.27 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA2' ' NZ ' ' A' ' 42' ' ' LYS . . . 118.71 26.21 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.68 138.46 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.3 p -72.43 -167.41 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.569 ' CD2' HD21 ' A' ' 84' ' ' LEU . 70.4 t60 -71.86 -35.26 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.7 t-160 -77.78 -69.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.483 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 31.6 m-20 -39.51 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -77.9 -54.81 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.2 -53.34 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -54.52 -54.73 37.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -46.02 -38.72 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -69.68 -36.59 76.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.9 mtt85 -71.51 -11.26 60.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -98.33 -4.77 34.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 32.7 mt-10 -71.95 -43.63 10.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -108.62 -15.58 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -124.08 148.73 46.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.93 137.56 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' ASN . 2.0 t -117.77 111.75 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -122.92 123.63 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.423 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 24.4 t -103.63 113.62 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 79.0 p -133.52 158.61 42.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.463 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -133.56 161.21 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -74.69 110.19 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -68.21 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.3 p -129.05 156.67 77.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -167.1 155.85 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.67 -51.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.2 ttt 54.81 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.37 29.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -127.85 111.39 13.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 52.2 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.47 166.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -150.64 128.04 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.68 158.51 39.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.47 158.02 30.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p 178.47 146.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t -172.39 167.94 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -163.91 138.34 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 0.798 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -144.24 164.32 31.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.58 87.39 1.75 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.89 153.01 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.93 115.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . -167.46 -166.1 25.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . 82.43 -61.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 m 64.1 148.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -173.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -89.68 62.74 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.08 115.98 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.16 124.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.92 14.6 9.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.26 33.4 87.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 8.3 mm -98.52 129.28 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -123.63 128.94 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.546 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.88 151.69 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 ' CG2' HD21 ' A' ' 21' ' ' LEU . 11.9 m -126.35 116.43 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' CG2' ' A' ' 97' ' ' VAL . 14.4 mm -115.58 107.65 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD1' ' OE1' ' A' ' 58' ' ' GLU . 2.9 mm? -104.36 131.81 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -95.92 113.25 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.599 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.85 173.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -96.09 168.22 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.93 102.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.68 30.22 24.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.48 -32.85 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.54 164.48 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.2 -47.32 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 120.65 1.87 11.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.7 p90 -143.54 170.51 15.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 167.41 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mt -92.55 162.14 14.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -149.4 132.44 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.36 175.36 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . 168.98 160.25 16.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.55 -37.6 70.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.4 -23.69 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 80' ' ' HIS . 6.9 mp -82.28 176.89 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.27 -37.57 83.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.6 m-20 -89.61 156.3 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -20.8 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG13 ' CG ' ' A' ' 66' ' ' GLU . 1.5 t -97.31 113.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.451 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -66.18 115.65 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.4 p -104.2 164.59 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.11 103.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 16.2 t-160 -52.82 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 155.89 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' PHE . 12.1 t -121.49 96.28 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' GLY . 5.9 m-30 -36.32 151.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.28 12.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -116.95 85.2 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -164.73 18.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -93.2 -57.3 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 58' ' ' GLU . . . -46.18 -27.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -40.47 55.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.1 mt-30 -66.93 -55.47 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' OE1' ' CD1' ' A' ' 21' ' ' LEU . 17.4 pt-20 -58.26 -40.79 82.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . 74.69 0.86 60.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 m -68.96 -44.17 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.3 mt -92.09 90.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 67.0 mt-30 -97.76 143.39 28.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -51.99 128.5 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.58 13.98 48.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 5.8 m120 -94.04 129.3 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' CG ' HG13 ' A' ' 43' ' ' VAL . 16.2 tt0 -64.79 108.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 44' ' ' ILE . 97.1 t -81.03 86.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.71 -62.03 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.4 p -151.0 175.01 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.471 ' CG2' ' OD1' ' A' ' 71' ' ' ASN . 13.8 mt -144.78 120.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' OD1' ' CG2' ' A' ' 70' ' ' ILE . 9.9 m120 73.5 4.51 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.72 5.59 47.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -91.17 106.48 18.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -75.48 138.93 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 10.0 mt -76.53 95.5 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 13.45 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.07 26.66 2.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.61 141.72 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -79.11 154.07 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.557 ' CD2' HD13 ' A' ' 84' ' ' LEU . 58.3 t60 -40.25 -43.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.35 -59.35 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 4.8 m-20 -50.26 -24.93 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.15 -53.91 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 80' ' ' HIS . 4.1 mt -45.58 -48.51 14.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.61 -56.32 23.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.11 -35.43 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.19 -34.69 71.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mtp85 -71.28 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.412 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 8.5 mt-30 -91.91 -26.57 18.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.3 -7.29 53.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -4.95 35.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -73.44 -44.57 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.01 -170.65 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -12.63 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' NE2' HD12 ' A' ' 20' ' ' ILE . 8.6 tt0 -130.62 145.44 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.83 141.17 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.55 118.63 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -135.21 121.98 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 2.2 t -97.76 113.76 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.5 p -132.17 157.13 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.24 160.18 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -76.43 137.34 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 17.3 mt -123.31 179.18 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p -38.33 154.79 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -119.96 -38.51 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 65.04 133.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 mmt -140.13 151.55 65.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.88 9.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.07 152.32 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -77.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 23.9 t30 42.36 90.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.37 108.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.83 167.64 15.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -163.81 107.05 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 152.66 41.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.55 120.68 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.8 m -132.98 132.05 41.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.28 161.03 30.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.05 166.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 151.76 5.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 123.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.87 153.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.92 -144.98 11.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.68 135.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.39 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 9' ' ' THR . 9.3 t -167.94 76.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -136.55 129.64 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.01 147.77 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -120.09 76.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -137.31 128.4 27.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 79.53 153.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -123.82 31.65 4.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 101' ' ' ARG . 1.7 mm -107.62 120.02 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -120.82 119.77 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.72 148.13 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 3.9 m -125.26 103.1 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.416 ' CD1' HG23 ' A' ' 97' ' ' VAL . 18.4 mm -95.8 114.26 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 19' ' ' THR . 1.3 mm? -106.37 123.43 48.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.56 102.14 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -126.41 -174.51 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.91 152.87 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 10.3 pt-20 -53.66 102.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.39 26.32 16.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.98 -33.4 13.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.33 165.86 28.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 4.1 mt -94.33 -47.51 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.45 -5.9 14.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.401 ' CE1' HD13 ' A' ' 29' ' ' LEU . 8.1 p90 -136.0 170.09 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.792 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -127.31 169.19 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 70' ' ' ILE . 3.4 mt -94.88 158.18 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -139.3 151.09 46.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.23 176.1 27.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.2 -162.95 13.99 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -87.66 -45.75 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.89 -18.26 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 3.9 mp -81.56 -179.95 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.18 -38.02 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -85.38 85.87 7.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.0 tptp -53.18 -38.28 62.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.89 117.89 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.49 136.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.6 p -124.63 172.12 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 61' ' ' ILE . 41.9 t -75.07 101.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.468 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 3.7 t-160 -55.36 -61.47 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 153.67 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -120.12 96.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -39.66 154.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.84 6.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -115.48 86.83 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.66 -171.86 25.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -50.4 5.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.5 -33.22 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -75.72 -46.81 28.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.89 -42.43 65.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -62.7 -56.17 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.354 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.65 -4.89 66.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.493 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 2.3 m -78.37 -44.41 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 HG22 ' CG2' ' A' ' 46' ' ' VAL . 8.7 mt -86.68 96.52 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' LYS . 34.9 mt-30 -110.26 132.4 54.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -37.21 130.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.5 -27.55 19.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -46.46 161.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -98.94 115.06 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.4 t -87.14 104.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 101' ' ' ARG . 1.8 mt -74.34 -47.27 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.79 161.72 40.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CD1' HD22 ' A' ' 33' ' ' LEU . 5.3 mt -135.69 121.89 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.1 6.52 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 -0.35 46.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -89.44 113.46 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 m -81.01 147.04 30.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 mt -84.23 97.71 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 13.74 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.13 26.7 2.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.481 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.02 142.89 50.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.405 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 p -72.86 175.26 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.442 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.565 ' CD2' HD11 ' A' ' 84' ' ' LEU . 41.8 t60 -58.06 -45.21 87.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -72.35 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 35.8 m-20 -42.91 -28.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.14 -59.6 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.3 mt -47.57 -42.25 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -63.91 -59.07 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.87 -36.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.71 -36.89 73.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 42.1 mtt180 -65.97 -9.61 31.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -100.18 -26.52 13.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -8.45 30.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' CG ' ' HG ' ' A' ' 29' ' ' LEU . 2.2 mtp85 -97.54 -4.55 37.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 28.8 mt-10 -69.7 -43.39 21.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -100.14 -3.4 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -142.46 144.34 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.68 133.62 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.416 HG23 ' CD1' ' A' ' 20' ' ' ILE . 2.0 t -111.17 111.91 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.43 125.17 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.412 ' CG1' HD13 ' A' ' 68' ' ' LEU . 15.7 t -108.74 113.56 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -131.96 160.33 36.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HD2' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -110.79 157.15 20.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' NZ ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -76.0 121.12 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . 1.8 mt -128.66 178.15 6.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 103' ' ' LEU . 13.4 p 54.0 164.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -70.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -168.61 46.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.84 173.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.3 ttp -84.28 126.48 69.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 128.35 11.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -154.6 123.4 6.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -77.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.2 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.21 170.57 16.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.0 p -117.51 168.27 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.57 77.1 0.33 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 160.53 39.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.33 166.75 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.9 m -136.58 130.23 32.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.23 -59.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 65.83 159.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 136.86 3.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 p 176.35 151.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.979 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p 178.34 161.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.84 -162.13 32.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.79 -173.69 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -125.18 52.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.24 165.26 13.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -57.01 -78.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -94.44 70.02 3.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tp -168.24 136.84 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 69.0 172.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.24 57.7 2.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 4.5 mm -120.11 130.26 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 0.734 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -127.55 123.93 36.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.06 151.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.442 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.9 m -121.39 110.52 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.445 ' CG2' ' OE1' ' A' ' 95' ' ' GLN . 27.5 mm -110.15 107.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 2.6 mm? -107.21 126.34 52.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.433 ' CE1' HG22 ' A' ' 20' ' ' ILE . 30.0 m-70 -94.93 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -130.23 -174.77 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -102.61 163.74 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.73 102.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.57 39.83 11.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.93 -27.86 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA2' ' NH1' ' A' ' 91' ' ' ARG . . . 102.05 151.14 23.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.507 ' CD1' ' CD2' ' A' ' 87' ' ' LEU . 68.4 mt -81.8 -47.26 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.41 -12.26 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -131.15 167.09 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.56 172.63 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.5 mt -103.27 155.21 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 47' ' ' HIS . . . -139.26 151.24 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.6 -179.73 46.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.48 170.42 36.26 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.83 -21.16 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.6 mp -86.53 -168.83 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.34 -25.46 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -96.26 99.93 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -59.86 -46.13 90.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -88.09 118.22 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 1.5 mp -59.89 154.86 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.512 ' CG2' ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -140.22 -179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG22 ' CG2' ' A' ' 67' ' ' VAL . 11.1 t -83.52 99.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 8.5 t-160 -58.96 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 154.83 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 t -124.06 98.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m-30 -39.96 153.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.41 11.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -117.35 86.22 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.76 -169.97 23.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' A' ' 23' ' ' LYS . 1.1 mt -96.0 -49.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.32 -35.46 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.9 t -77.59 -47.32 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -55.79 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.49 -42.49 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -5.84 82.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -63.7 -49.27 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 0.769 . . . . 0.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.7 mt -96.9 90.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 22.5 mt-30 -104.19 126.81 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 12.2 ttpt -39.08 106.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ASN . . . 140.08 -16.35 3.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.48 ' HB2' ' CG2' ' A' ' 46' ' ' VAL . 31.7 m120 -53.81 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.512 ' HA ' ' CG2' ' A' ' 45' ' ' THR . 0.1 OUTLIER -115.8 -17.75 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.496 ' CG2' HG22 ' A' ' 46' ' ' VAL . 6.3 t 45.79 93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.22 -49.59 22.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.9 p -156.45 178.36 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CG2' ' OD1' ' A' ' 71' ' ' ASN . 36.1 mt -145.93 124.59 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.463 ' OD1' ' CG2' ' A' ' 70' ' ' ILE . 15.2 m120 70.47 7.12 6.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.79 55.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 106.19 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 126.45 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 12.0 mt -68.4 101.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 13.79 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.64 26.81 2.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.7 143.36 42.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 6.6 p -76.44 160.27 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' CD2' HD11 ' A' ' 84' ' ' LEU . 56.9 t60 -45.58 -44.82 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -67.86 -60.11 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 21.6 m-20 -46.74 -27.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.33 -54.79 4.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.6 mt -49.27 -46.11 45.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.84 -57.18 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.52 -33.94 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 ' CD2' ' CD1' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.02 -34.33 66.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.1 mtt180 -70.74 -18.32 62.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -87.02 -30.46 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.75 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.411 ' NH1' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -98.19 -4.77 34.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.61 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -71.45 -44.85 13.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -22.74 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' OE1' ' CG2' ' A' ' 20' ' ' ILE . 9.0 tt0 -124.78 147.46 48.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.484 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -126.58 142.14 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.52 115.55 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.54 121.13 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 2.8 t -92.0 125.14 44.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 p -144.53 143.66 30.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.78 150.99 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -64.69 117.25 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 66' ' ' GLU . 16.0 mt -105.89 129.71 53.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -49.42 158.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.9 -63.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -172.8 66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 22.9 ttt -152.32 86.51 4.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.91 33.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -99.26 105.46 17.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.74 57.35 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.91 151.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 84.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.73 164.12 23.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.65 -176.08 14.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.1 t -171.93 168.98 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.42 169.86 14.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.1 133.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.52 157.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.85 96.36 1.03 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -172.1 160.88 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.977 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.53 126.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.73 114.26 0.33 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.91 107.65 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.4 m -158.29 146.44 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -78.48 71.62 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -173.66 173.54 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -76.09 89.71 3.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.75 119.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.97 174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.11 37.82 0.46 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 1.3 mm -113.36 113.22 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -119.76 118.61 31.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.96 137.31 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.7 m -114.18 104.26 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 22' ' ' HIS . 21.9 mm -91.96 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -98.0 132.31 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 20' ' ' ILE . 3.9 m-70 -111.16 103.27 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.579 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -129.96 -174.9 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -87.54 169.55 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.0 mt-10 -67.61 101.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.89 10.28 64.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' CB ' ' HG2' ' A' ' 24' ' ' GLU . . . -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.07 158.55 26.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 87' ' ' LEU . 5.6 mt -84.24 -47.55 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.7 -5.59 9.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 29' ' ' LEU . 10.4 p90 -137.23 167.34 21.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -121.77 163.46 19.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 70' ' ' ILE . 6.9 mt -92.58 158.97 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -144.43 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 176.23 50.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -173.91 -166.93 32.82 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -83.25 -45.62 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.59 -22.86 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 39' ' ' LEU . 6.3 mp -79.14 178.02 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -40.68 71.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' GLY . 83.1 m-20 -83.11 94.97 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -56.24 -45.61 79.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.27 119.03 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.15 141.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.0 p -127.56 173.11 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG23 ' CG2' ' A' ' 61' ' ' ILE . 48.4 t -76.87 105.16 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.465 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 23.4 t-160 -59.82 -61.48 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.86 152.07 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.08 103.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.3 m-30 -45.18 154.72 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.54 8.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -116.02 86.12 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.1 -167.19 19.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -95.2 -53.68 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.8 -29.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.57 -45.8 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.9 mt-30 -58.21 -45.36 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -59.3 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 13.23 35.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.501 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -91.71 -48.82 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.43 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG2' HG23 ' A' ' 46' ' ' VAL . 4.1 mt -92.55 99.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 60.7 mt-30 -117.25 126.35 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -42.13 108.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 129.42 -12.08 6.03 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 33.8 m120 -78.94 -177.04 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -114.97 127.44 55.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.3 t -95.73 117.92 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD21 ' CD ' ' A' ' 101' ' ' ARG . 3.5 mt -87.77 -48.51 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -157.09 165.81 35.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 33' ' ' LEU . 39.7 mt -142.64 131.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 64.92 12.58 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.84 6.58 63.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -92.25 106.67 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.45 135.7 42.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 13.22 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.1 26.28 3.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.91 144.36 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.43 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -73.95 172.76 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.585 ' CD2' HD13 ' A' ' 84' ' ' LEU . 45.1 t60 -56.43 -45.53 80.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.3 t60 -71.1 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 84.7 m-20 -45.24 -26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -84.41 -61.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.585 HD13 ' CD2' ' A' ' 80' ' ' HIS . 3.4 mt -42.39 -45.6 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.52 -57.05 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -39.52 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.39 -35.88 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.4 mtp85 -72.84 -16.13 61.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.64 -28.65 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.56 -7.89 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -9.4 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -65.6 -43.99 63.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.0 -178.34 4.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -92.73 -17.68 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.3 tt0 -128.91 147.0 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' CB ' HD23 ' A' ' 29' ' ' LEU . . . -134.52 147.03 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.61 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.36 129.89 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.3 t -111.56 113.62 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -135.0 150.53 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.5 ' CG ' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -102.63 147.19 27.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -73.29 -17.19 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 mt 48.51 -128.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -83.98 160.88 56.99 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.447 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 170.19 20.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.01 56.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.91 97.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.17 157.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.55 4.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -102.5 93.56 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.36 58.89 5.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 170.67 99.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.4 t -126.34 131.64 51.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -113.33 153.77 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 73.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.91 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m 62.27 169.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.88 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -163.84 145.15 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.78 165.59 21.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 149.75 21.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.98 110.85 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.55 151.66 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.46 -179.94 18.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 122.55 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -157.94 108.63 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.6 179.49 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -151.78 127.47 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.23 118.8 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.13 104.63 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.99 144.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.43 54.28 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 5.6 mm -116.81 119.79 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -113.74 127.49 56.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -87.74 136.79 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 3.0 m -120.41 111.59 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -95.75 115.15 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' CD1' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -102.08 126.86 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -98.79 107.29 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -133.65 176.58 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -97.85 170.51 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.24 114.56 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.87 29.05 72.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 -33.23 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.04 163.91 32.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -87.32 -46.86 9.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.94 -4.99 8.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE1' HD13 ' A' ' 29' ' ' LEU . 11.7 p90 -137.28 168.83 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.0 p -120.33 177.57 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 70' ' ' ILE . 5.0 mt -103.38 160.38 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -140.78 151.53 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.83 175.7 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.51 -168.41 29.63 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -81.47 -43.1 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 4.3 mp -78.44 -175.34 4.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.68 -33.5 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -88.16 88.61 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.33 -44.31 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.44 120.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.432 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -60.56 152.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 p -138.48 175.92 9.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 HG23 ' CG2' ' A' ' 61' ' ' ILE . 45.6 t -82.43 96.58 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.499 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 10.9 t-160 -54.49 -60.92 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -145.86 157.1 43.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 t -123.54 96.05 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -38.8 152.08 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.77 9.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -116.26 86.09 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.04 -165.57 19.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.8 mt -95.84 -45.81 6.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.7 -19.15 15.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.54 -19.53 19.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -35.47 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.06 8.01 34.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -94.46 -48.79 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' A' ' 46' ' ' VAL . 10.2 mt -89.36 98.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.09 131.97 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -47.29 114.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.15 -10.14 10.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -74.96 -176.98 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' CB ' HD13 ' A' ' 103' ' ' LEU . 14.4 tt0 -115.19 116.75 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.55 118.53 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mt -86.92 -50.2 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 p -148.74 167.56 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -142.41 119.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER 78.27 0.36 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.71 1.27 36.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 116.84 30.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.84 150.79 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 5.2 mt -83.26 103.51 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 13.02 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.84 26.49 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -57.28 140.05 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -71.98 162.59 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.516 ' CD2' HD21 ' A' ' 84' ' ' LEU . 66.7 t60 -48.98 -32.01 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -81.75 -60.76 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.487 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 7.5 m-20 -46.0 -27.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.73 -53.11 7.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.516 HD21 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -49.32 -52.45 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.8 -52.91 63.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.41 -39.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD11 ' CZ ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -68.5 -32.93 73.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mtt-85 -72.69 -12.84 61.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.428 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -94.04 -32.3 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.08 -8.76 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 6.8 mtt180 -98.04 -9.79 25.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -62.27 -43.03 84.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.03 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.6 mpt_? -107.58 -19.19 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.03 146.32 46.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.74 134.55 50.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.41 119.45 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.464 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 4.0 mp -128.05 126.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.546 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 21.3 t -107.73 120.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -139.3 163.39 32.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 146.04 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 4.4 mptt -61.17 129.5 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD13 ' CB ' ' A' ' 66' ' ' GLU . 20.4 mt -107.86 -178.64 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.1 p -48.74 158.31 0.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.07 37.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.71 149.68 50.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.71 138.58 23.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ttt -162.47 129.85 2.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -112.12 99.7 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 179.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.85 165.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.98 90.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -43.38 162.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.15 171.44 37.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.97 42.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -150.12 170.49 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 92.3 p -93.2 169.58 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -163.53 169.6 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -156.43 134.04 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.4 173.81 0.94 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.59 -50.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -174.24 168.06 4.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.75 -69.4 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.73 173.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.3 m 46.39 86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.23 124.15 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -49.82 175.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.59 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER 87.59 147.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.66 -75.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.1 31.61 7.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' CG2' HG13 ' A' ' 99' ' ' VAL . 7.5 mm -99.57 133.74 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.549 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -70.92 153.16 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -135.1 114.08 12.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.3 mm -97.47 126.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.2 mm? -116.32 121.54 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -84.43 111.37 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' A' ' 91' ' ' ARG . 1.7 pttp -135.89 -173.72 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -117.63 166.81 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 102.93 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.08 31.52 17.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.94 -30.77 12.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.2 33.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -80.99 -46.84 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.41 -2.7 8.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE1' HD12 ' A' ' 29' ' ' LEU . 12.1 p90 -139.78 175.93 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -129.01 172.84 10.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.16 161.59 13.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -143.28 151.53 40.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' HA2' ' CD2' ' A' ' 39' ' ' LEU . . . 65.0 -171.12 23.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.27 -150.26 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.03 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.44 -18.68 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' CD2' ' HA2' ' A' ' 35' ' ' GLY . 6.4 mp -83.5 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.37 -33.99 42.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLY . 78.3 m-20 -86.97 87.37 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -53.82 -20.36 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' CG1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -105.66 123.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.9 mp -65.92 110.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -96.53 170.0 9.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 61' ' ' ILE . 46.7 t -79.86 104.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -55.79 -61.45 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 109.646 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.41 94.54 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.6 m-30 -37.51 153.12 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.29 9.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -117.16 86.19 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.45 -164.07 15.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -96.01 -55.53 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.79 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.3 t -74.42 -51.27 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.57 -34.8 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -70.14 -59.32 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.85 -2.93 58.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -83.48 -44.22 14.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 46' ' ' VAL . 17.8 mt -87.96 90.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . 54.3 mt-30 -103.15 132.27 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.4 ttpp -44.32 111.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.59 16.17 6.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.447 ' OD1' ' HB2' ' A' ' 62' ' ' GLN . 28.0 m120 -108.84 139.65 43.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.551 ' CD ' ' N ' ' A' ' 67' ' ' VAL . 4.5 tp10 -67.95 131.09 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.551 ' N ' ' CD ' ' A' ' 66' ' ' GLU . 89.4 t -100.16 86.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -43.13 -62.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -146.08 171.38 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' CD1' HG11 ' A' ' 67' ' ' VAL . 46.3 mt -142.49 123.19 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.31 5.72 5.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.53 6.32 53.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.425 1.078 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -99.17 111.84 24.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 150.49 39.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 5.1 mt -84.24 102.44 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.37 11.49 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.54 27.01 3.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.474 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.76 143.15 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.38 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 p -75.48 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CD2' HD13 ' A' ' 84' ' ' LEU . 72.2 t60 -49.9 -45.67 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.6 t-160 -69.3 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.504 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 2.2 m-20 -45.91 -26.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.45 -48.11 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 80' ' ' HIS . 4.7 mt -50.55 -51.89 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.99 -52.4 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -33.09 70.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' ALA . 83.6 mtt180 -69.73 -13.51 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 21.5 mt-30 -93.46 -31.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.01 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -98.4 -5.98 31.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 3.8 mm-40 -68.74 -43.31 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 173.46 14.48 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' LYS . 8.2 mtm-85 -91.54 6.95 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -143.8 144.57 31.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -118.0 130.84 56.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.15 115.3 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.36 129.98 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 HG13 ' CG2' ' A' ' 16' ' ' ILE . 6.9 t -112.15 115.68 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 p -134.75 163.29 30.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -132.2 145.2 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -64.36 106.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 104' ' ' THR . 50.8 mt -86.11 173.39 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' LEU . 65.7 p -39.17 158.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 152.74 41.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.66 171.26 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.18 118.14 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 ttm -177.17 99.62 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -68.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -167.04 167.39 14.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -78.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.4 t30 53.7 177.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 m 61.86 151.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.64 97.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -156.3 75.95 0.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.77 161.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.3 p -164.55 119.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.73 153.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m 68.76 166.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.05 -58.49 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 52.7 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -104.09 173.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' THR . . . -131.6 155.36 21.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 69.88 -65.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' GLY . 21.8 m 61.66 146.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.8 94.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.83 -55.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -41.99 116.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -126.22 145.45 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.2 t0 80.93 -67.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.46 35.08 5.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 101' ' ' ARG . 10.2 mm -106.08 155.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.794 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.95 110.43 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -77.47 144.02 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.489 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 24.4 m -127.51 106.59 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' ' 22' ' ' HIS . 28.7 mm -97.26 108.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' CD2' ' CD1' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -92.56 133.2 36.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.558 ' CE1' HG21 ' A' ' 20' ' ' ILE . 5.6 m-70 -112.97 101.34 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HB2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -135.58 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.16 168.14 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.74 107.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.94 25.66 55.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -81.94 -33.29 30.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 163.2 35.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 31' ' ' PHE . 3.6 mt -85.74 -47.2 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 125.45 -5.6 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 29' ' ' LEU . 27.1 p90 -132.92 165.05 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 0.816 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.445 ' HB2' ' ND1' ' A' ' 47' ' ' HIS . 7.3 m -117.74 166.64 12.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 70' ' ' ILE . 4.1 mt -94.17 159.42 15.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.484 ' HB1' ' CA ' ' A' ' 47' ' ' HIS . . . -147.57 151.27 36.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.08 -160.88 29.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.16 -177.67 37.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -76.37 -50.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.31 -24.2 61.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 39' ' ' LEU . 9.0 mp -72.51 176.56 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.43 -40.48 81.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -88.31 97.27 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -53.21 -46.0 68.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' CG2' ' OE2' ' A' ' 66' ' ' GLU . 7.1 p -88.18 124.07 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.453 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -60.7 152.42 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.2 p -138.64 172.36 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 61' ' ' ILE . 40.7 t -76.73 99.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CD2' ' C ' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -55.41 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -143.03 145.73 33.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.427 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 61.6 t -112.51 91.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.8 m-30 -38.29 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.8 14.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -115.26 84.59 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.82 -171.99 29.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' GLN . 17.7 mt -89.25 -50.85 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.4 -55.2 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -54.47 -41.27 69.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -69.45 -38.91 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 23.8 tp10 -58.86 -57.87 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.03 59.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.489 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.3 m -95.2 -49.15 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.4 mt -85.1 94.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -111.4 127.45 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -43.87 110.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.02 -11.68 7.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -75.01 177.85 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' OE2' ' CG2' ' A' ' 43' ' ' VAL . 6.3 tt0 -108.97 124.46 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -94.99 122.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.91 -50.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -151.99 164.02 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' A' ' 33' ' ' LEU . 85.8 mt -138.66 121.06 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.41 9.24 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.22 47.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -82.98 110.77 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.53 137.97 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 8.6 mt -79.8 97.27 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 13.33 10.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 117.25 26.85 2.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.74 142.49 49.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.426 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.0 p -75.46 177.89 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.579 ' CD2' HD22 ' A' ' 84' ' ' LEU . 35.1 t60 -59.39 -42.46 91.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' ALA . 7.9 t-160 -73.78 -63.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 70.6 m-20 -43.9 -27.32 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.35 -58.36 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -43.74 -48.32 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -56.92 -56.83 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -45.43 -47.34 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.99 -29.0 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.6 mt-30 -78.27 -30.78 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.43 -7.5 47.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -98.25 -5.99 32.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.6 mm-40 -69.97 -44.11 21.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.0 Cg_endo -75.07 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -109.31 -11.58 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 7.9 tt0 -136.15 150.5 49.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' HD23 ' A' ' 29' ' ' LEU . . . -138.13 144.83 41.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.5 119.76 62.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 3.6 mp -123.53 119.88 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 HG12 ' CG2' ' A' ' 16' ' ' ILE . 15.7 t -100.57 113.78 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 71.8 p -130.74 154.11 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.467 ' HG2' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -106.92 161.16 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 129.19 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mt -126.75 176.54 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.6 p -38.66 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -64.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 76.99 -58.68 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.05 130.23 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 17.5 mtp -141.3 114.36 6.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.46 21.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.769 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -110.49 139.04 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.3 mt -74.68 177.7 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.17 146.48 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.62 159.24 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.96 152.59 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -149.64 178.89 26.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.21 33.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 t -151.08 152.71 33.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.8 t -121.01 119.96 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.962 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -136.48 159.47 41.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.11 126.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.57 79.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -171.27 141.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -153.79 129.53 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.78 157.14 27.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.27 138.22 21.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m 63.7 71.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.89 101.48 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -96.34 140.14 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 mt-30 166.35 93.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.23 125.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.25 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.23 79.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.71 93.65 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.536 HG13 ' CB ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER -110.33 146.8 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.27 126.0 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.83 133.5 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 ' OG1' ' CB ' ' A' ' 60' ' ' THR . 4.1 m -114.64 118.67 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 97' ' ' VAL . 25.9 mm -107.51 107.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 mm? -97.61 124.85 42.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -96.49 103.39 15.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' NZ ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -125.63 179.19 5.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -98.15 169.74 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.05 102.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.49 36.13 24.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.4 -33.09 14.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.89 165.26 27.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD11 ' CE1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.85 -47.27 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 125.34 -1.57 8.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CE1' HD11 ' A' ' 29' ' ' LEU . 14.1 p90 -140.84 176.71 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -128.44 172.65 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.01 157.97 16.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.8 150.65 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 174.92 49.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -171.75 179.92 43.16 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -77.42 -41.17 40.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.62 -23.63 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 4.0 mp -81.75 -171.02 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.53 -30.59 33.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -87.57 88.15 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -52.6 -43.71 65.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.87 121.11 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.83 147.17 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.359 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.3 p -133.6 171.85 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 61' ' ' ILE . 47.5 t -75.17 101.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 4.5 t60 -57.25 -61.3 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -148.36 155.53 41.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 t -122.91 96.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.472 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.17 154.12 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.86 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.16 86.51 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.88 -167.16 19.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 2.1 mt -92.73 -48.83 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.01 -37.82 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -34.77 65.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.85 -46.83 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.05 -51.81 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.84 70.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.491 ' CB ' ' OG1' ' A' ' 19' ' ' THR . 3.9 m -68.11 -49.49 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 46' ' ' VAL . 12.0 mt -86.32 94.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.6 mt-30 -111.05 123.93 51.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLN . 5.3 ttpp -40.16 111.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.37 -13.87 8.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -169.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -118.21 121.21 39.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 46' ' ' VAL . 60.7 t -91.32 92.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.6 -47.91 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.8 p -146.43 170.81 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.18 121.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.3 t-20 68.38 9.2 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.39 8.27 50.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 120.57 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.43 151.15 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 mt -87.54 106.06 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 13.41 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 117.07 26.49 2.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.492 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.61 144.39 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -73.93 167.95 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.559 ' CD2' HD22 ' A' ' 84' ' ' LEU . 66.0 t60 -57.2 -26.11 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.405 ' C ' ' N ' ' A' ' 83' ' ' ALA . 10.1 t-160 -87.53 -61.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 76.7 m-20 -46.63 -25.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.05 -53.46 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.76 -54.76 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.5 -52.65 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -46.76 -39.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.28 76.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 35.4 mtt180 -72.26 -11.72 60.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -93.26 -29.02 15.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' ND2' ' A' ' 71' ' ' ASN . . . -73.49 -7.68 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -6.66 33.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 39.2 mt-10 -66.58 -43.35 50.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.06 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.83 -8.57 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -129.03 144.7 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.82 130.41 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -112.8 110.99 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.63 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 t -114.39 113.4 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 16' ' ' ILE . 82.8 p -134.26 142.58 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.536 ' CB ' HG13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -114.56 148.39 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.71 129.3 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 66' ' ' GLU . 32.0 mt -107.9 171.65 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.9 p -40.78 160.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -167.78 178.32 5.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 108' ' ' MET . . . -133.17 172.96 11.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -36.78 97.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 107' ' ' ALA . 18.3 Cg_endo -74.99 -176.7 3.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.85 115.88 30.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.74 179.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 151.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -162.37 100.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.6 t -50.74 110.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 57.49 98.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -54.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 m 45.32 94.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 p -71.8 110.47 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -167.78 118.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p -155.78 140.09 16.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.7 -155.51 30.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -156.2 152.73 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -80.38 81.57 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.058 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.45 -84.26 1.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.06 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 62.23 153.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.95 -50.16 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.16 164.04 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 68.95 86.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -102.68 127.71 49.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.0 t0 80.8 166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.69 40.32 2.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 9.2 mm -105.18 137.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 31.1 p-80 -134.09 106.68 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.44 152.82 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.508 ' OG1' ' CB ' ' A' ' 60' ' ' THR . 0.8 OUTLIER -128.18 119.79 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 HD13 ' NE2' ' A' ' 95' ' ' GLN . 19.3 mm -96.41 107.61 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -89.92 127.24 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.417 ' CE1' HG22 ' A' ' 20' ' ' ILE . 50.2 m-70 -101.87 108.06 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -142.02 -174.58 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -106.7 172.28 6.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.353 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.58 103.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.37 28.98 23.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.09 -33.04 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.73 164.42 32.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD11 ' CE1' ' A' ' 31' ' ' PHE . 2.3 mt -91.28 -46.12 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.24 -6.49 10.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' CE1' HD11 ' A' ' 29' ' ' LEU . 17.5 p90 -133.47 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.1 177.61 5.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mt -104.6 160.34 15.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -144.32 151.94 40.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' HA3' ' ND2' ' A' ' 41' ' ' ASN . . . 79.9 178.54 51.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -177.99 -173.14 43.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -75.4 -44.87 42.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.56 -24.03 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 39' ' ' LEU . 7.8 mp -74.88 175.35 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.81 -41.15 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 12.4 p30 -88.31 107.82 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.57 129.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 1.8 mp -70.0 153.87 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.1 p -138.85 172.68 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG2' HG22 ' A' ' 61' ' ' ILE . 39.3 t -78.47 98.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.5 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 15.3 t-160 -53.71 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -146.8 158.88 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 22.3 t -127.94 97.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -37.78 153.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.5 5.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -116.1 86.36 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.22 -163.79 13.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.451 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -96.33 -51.5 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 31' ' ' PHE . . . -46.9 -25.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 54' ' ' LEU . 1.6 t -88.49 -45.88 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.8 -44.21 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -2.81 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.508 ' CB ' ' OG1' ' A' ' 19' ' ' THR . 6.2 m -79.39 -48.83 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 HG22 ' CG2' ' A' ' 46' ' ' VAL . 9.4 mt -88.76 91.82 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 36.7 mt-30 -105.6 129.33 53.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -44.81 116.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -12.45 12.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 11.8 m120 -70.4 176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -109.95 117.88 34.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.68 105.67 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.412 ' CD2' ' HD2' ' A' ' 101' ' ' ARG . 5.5 mt -76.01 -50.91 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -153.12 168.0 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.7 mt -139.21 120.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 73.14 6.54 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.39 2.32 53.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 106.47 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.24 147.46 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.424 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 4.9 mt -83.23 105.36 14.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 13.27 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.58 26.55 3.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.484 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.84 142.23 41.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -76.45 159.83 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 84' ' ' LEU . 75.5 t60 -45.05 -45.97 11.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -67.56 -60.76 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 29.3 m-20 -47.9 -25.35 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.42 -50.17 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 80' ' ' HIS . 3.9 mt -51.97 -47.98 64.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.12 -56.8 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -36.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.97 -33.09 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 54.7 mtp180 -72.54 -14.57 61.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 mt-30 -92.76 -28.31 16.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.421 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -72.23 -5.13 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -99.69 -3.67 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -75.7 -41.15 3.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.96 174.68 12.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -16.39 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' NE2' HD13 ' A' ' 20' ' ' ILE . 1.2 tm0? -129.04 148.51 51.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.2 132.14 39.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.05 122.7 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.86 120.47 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' A' ' 16' ' ' ILE . 14.0 t -99.18 113.91 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -133.76 156.22 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -100.58 161.16 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.551 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 1.1 mmpt? -80.17 107.63 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 p -39.73 157.42 0.14 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -116.48 137.77 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.02 129.41 35.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.49 81.03 0.5 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.49 5.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -153.9 86.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.0 177.72 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.41 138.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.5 p -175.23 77.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.92 170.47 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -79.67 134.53 13.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.49 4.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t 59.77 154.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.2 m -106.4 -56.93 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 p -151.72 158.98 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -177.44 139.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.25 -136.63 4.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 167.52 23.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -163.57 123.96 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.74 21.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.84 156.74 47.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -161.71 157.77 24.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.88 166.31 11.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -114.24 -65.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 139.89 19.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 tt -176.28 126.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t0 66.72 154.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.14 58.29 2.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 4.0 mm -115.41 119.05 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -124.31 116.4 22.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.564 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.47 143.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 1.1 m -123.75 110.53 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.568 HG23 ' CE1' ' A' ' 22' ' ' HIS . 16.6 mm -86.51 107.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -91.98 128.77 37.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' HG23 ' A' ' 20' ' ' ILE . 33.9 m-70 -106.24 106.17 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.625 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.8 pttp -135.15 -174.6 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HA ' ' CG ' ' A' ' 94' ' ' ARG . 3.0 mt-10 -102.44 171.29 7.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.08 102.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.59 42.47 21.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.22 -20.33 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.49 135.44 7.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 96' ' ' ALA . 80.9 mt -64.65 -47.85 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.8 -9.43 9.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' A' ' 29' ' ' LEU . 8.0 p90 -136.22 169.73 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -122.71 172.45 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 mt -100.65 156.2 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -141.95 132.87 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 167.99 21.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.98 147.57 8.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -54.25 -34.84 61.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.0 -23.34 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -86.77 179.46 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.66 -30.14 69.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.5 p30 -93.72 134.97 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -17.13 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 t -101.03 114.06 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.8 mp -70.12 113.61 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.1 p -104.13 166.11 10.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.93 101.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 5.3 t-160 -52.94 -61.44 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.43 153.88 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -117.82 93.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -37.68 153.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.76 9.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -116.41 85.69 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.71 -170.2 27.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.7 mt -91.71 -52.08 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.79 -30.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -50.6 12.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.25 -49.04 77.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.28 -41.43 84.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.82 -1.11 63.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.433 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.2 m -78.04 -48.86 15.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.2 mt -81.12 90.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 77.8 mt-30 -100.83 138.39 37.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -48.72 131.61 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.31 -16.15 60.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 2.4 m120 -59.64 156.64 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 2.3 tt0 -93.54 110.64 22.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 70' ' ' ILE . 97.1 t -84.71 84.53 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt -48.97 -52.98 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.42 170.22 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -133.93 105.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 82.82 -2.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -7.32 11.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 116.9 28.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 155.53 27.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -91.23 102.62 15.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.38 14.43 8.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 119.12 27.62 2.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.13 144.86 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -72.32 -179.13 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CD2' HD23 ' A' ' 84' ' ' LEU . 70.3 t60 -66.73 -35.64 80.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -81.12 -57.31 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' HB3' ' CG2' ' A' ' 78' ' ' THR . 81.2 m-20 -43.93 -29.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.99 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.74 -54.51 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.41 -55.22 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -33.53 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ALA . 53.1 mtt180 -69.53 -14.17 62.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -91.18 -31.24 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.15 -7.61 50.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -97.94 -7.27 30.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.5 mm-40 -67.96 -43.81 38.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -167.95 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' CG ' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -104.46 -18.71 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 8.5 tt0 -126.72 149.86 49.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -140.48 140.49 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.542 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -116.89 115.53 49.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.63 117.86 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 3.1 t -95.49 117.45 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 p -141.75 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -136.05 149.07 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' N ' ' HE2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.33 110.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD22 ' NH1' ' A' ' 101' ' ' ARG . 97.4 mt -102.41 143.17 32.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 50.1 p -40.08 157.58 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.72 24.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -175.58 151.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 108' ' ' MET . . . -174.42 140.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.484 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 166.79 -52.89 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 108' ' ' MET . 18.4 Cg_endo -74.97 88.24 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.17 125.47 13.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.19 -77.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.0 t30 45.19 76.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 p -155.82 160.03 39.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.3 m -134.22 168.88 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.89 121.91 2.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.65 5.89 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 t -162.06 156.86 22.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.85 149.08 24.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.79 144.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 0.798 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -171.7 164.28 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 172.72 31.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -135.19 171.87 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 139.22 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 142.68 16.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.17 131.26 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.783 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -96.3 161.95 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.58 68.04 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.2 157.09 35.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -177.9 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.53 97.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 175.06 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.0 24.7 74.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' CG2' HG13 ' A' ' 99' ' ' VAL . 6.1 mm -103.46 122.55 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -119.59 128.34 53.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -84.22 150.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' CD2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -130.49 128.57 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.567 HG22 ' CE1' ' A' ' 22' ' ' HIS . 11.6 mm -111.56 108.41 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 98' ' ' ILE . 0.5 OUTLIER -93.67 136.62 33.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 20' ' ' ILE . 14.3 m-70 -116.34 106.86 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -134.69 165.2 25.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.48 163.38 25.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.99 106.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.58 61.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . . . -77.64 -33.04 53.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.45 161.98 36.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -83.77 -37.86 22.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 117.01 0.68 19.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 29' ' ' LEU . 13.0 p90 -145.72 170.85 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.03 172.87 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 70' ' ' ILE . 4.4 mt -99.61 156.24 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -142.19 150.97 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA3' ' ND2' ' A' ' 41' ' ' ASN . . . 82.63 177.54 51.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.89 178.89 48.77 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.48 -44.0 75.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -72.79 -23.95 60.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' LEU . 7.0 mp -76.85 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.21 -38.87 92.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 7.3 p30 -91.77 106.34 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -58.31 -45.85 87.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -82.02 136.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -79.53 140.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.4 p -125.74 169.1 12.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' CG2' HG23 ' A' ' 61' ' ' ILE . 41.8 t -72.37 101.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.469 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 9.2 t-160 -54.51 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.465 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -149.29 154.89 39.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.5 t -120.86 96.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.5 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.69 9.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -117.28 86.33 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.24 -174.54 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 57' ' ' GLN . 8.3 mt -89.94 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -47.26 -25.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -35.43 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -74.33 -41.85 60.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.01 -49.6 75.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.65 72.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -84.5 -48.04 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.445 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.4 mt -90.55 91.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 35.5 mt-30 -105.75 132.21 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CE ' ' HG3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -42.17 134.4 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.66 -23.01 37.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 13.2 m120 -60.33 165.77 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HA ' ' CG2' ' A' ' 45' ' ' THR . 5.3 tt0 -102.43 119.4 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -85.55 122.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.15 -50.33 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -157.01 166.71 32.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 31.7 mt -145.79 123.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t-20 82.25 -2.4 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.94 6.87 42.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -103.85 110.65 22.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 153.36 40.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.79 105.41 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 13.43 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.23 26.4 3.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.48 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.67 143.06 56.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.386 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.0 p -66.51 -167.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -75.39 -36.47 60.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.7 t-160 -77.37 -66.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.481 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 4.0 m-20 -40.66 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -85.38 -46.8 10.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -60.21 -44.33 95.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.64 -57.06 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -45.25 -43.58 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.53 -36.05 79.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -70.24 -26.84 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.2 mt-30 -84.02 -30.62 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.77 -8.29 55.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -97.39 -5.87 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 65.9 mt-10 -64.44 -42.87 69.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.98 174.03 13.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -12.98 52.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 5.1 tt0 -133.42 149.0 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -137.5 151.18 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 2.5 t -120.91 126.09 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.45 ' CD1' HD22 ' A' ' 21' ' ' LEU . 3.2 mp -134.58 127.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 16' ' ' ILE . 2.9 t -103.71 115.06 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.4 p -136.01 151.41 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.88 161.31 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -90.05 129.03 36.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.24 -87.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.1 p -39.46 159.2 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.4 33.46 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.94 167.32 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.41 -61.3 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.9 mtt -170.03 83.35 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.02 4.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.8 94.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -70.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.68 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -172.13 168.36 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -110.19 120.9 43.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.051 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 178.39 96.81 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.51 7.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.5 p -169.6 174.55 5.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.5 p -153.33 168.61 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.92 170.84 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -156.51 170.0 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.41 176.35 44.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.73 170.87 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.26 -61.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.26 173.34 49.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.94 168.16 26.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.5 m -154.1 135.33 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.87 140.59 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 153.95 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 3.3 tt0 -178.06 61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -172.93 152.41 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -46.78 164.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.67 55.65 4.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 4.3 mm -121.29 150.77 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -139.36 119.78 13.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.12 147.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.483 ' OG1' ' CG2' ' A' ' 60' ' ' THR . 0.5 OUTLIER -118.57 119.66 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 97' ' ' VAL . 47.7 mm -117.89 108.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 19' ' ' THR . 3.7 mm? -112.2 130.46 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -101.17 100.64 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 pttp -115.4 -179.86 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.8 mt-10 -97.4 161.52 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 94' ' ' ARG . 2.6 mm-40 -43.45 120.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.35 35.25 43.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -78.25 -33.34 49.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.82 167.05 28.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD13 ' CE1' ' A' ' 31' ' ' PHE . 12.4 mt -93.96 -47.45 6.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.24 -9.9 11.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -127.71 169.94 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -126.96 173.34 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.041 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 70' ' ' ILE . 6.1 mt -97.54 161.79 13.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 47' ' ' HIS . . . -131.42 151.49 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' OD1' ' A' ' 41' ' ' ASN . . . 53.02 -163.68 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.16 -141.62 3.17 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -101.45 -53.11 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -80.02 -13.22 59.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mp -67.16 179.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.94 -34.61 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' OD1' ' HA3' ' A' ' 35' ' ' GLY . 2.3 p30 -109.97 171.53 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 9.9 tptp -113.9 -44.42 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -87.48 118.91 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -59.7 153.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.6 p -140.07 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.8 t -75.97 96.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 3.7 t-160 -53.92 -57.37 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.66 159.08 43.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.21 97.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.8 m-30 -37.5 152.24 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.03 11.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.89 86.31 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.93 -169.47 24.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -91.96 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.03 -34.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -46.61 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -48.77 72.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -67.27 -57.21 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.2 5.58 58.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.483 ' CG2' ' OG1' ' A' ' 19' ' ' THR . 1.7 m -74.59 -47.09 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 19' ' ' THR . 11.3 mt -96.68 97.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.484 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 34.9 mt-30 -108.13 143.86 36.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.98 132.5 27.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.58 14.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 18.6 m120 -54.01 171.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.7 127.27 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -100.27 114.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.25 -47.45 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 p -147.84 166.62 27.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' CD1' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -144.33 121.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 79.36 -0.53 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.07 2.52 39.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -103.11 118.46 36.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.98 158.94 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.938 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.11 104.71 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 12.28 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.98 26.64 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.45 139.82 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 p -75.33 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.582 ' CD2' HD23 ' A' ' 84' ' ' LEU . 42.2 t60 -63.38 -40.58 97.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -74.24 -59.13 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.491 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 3.3 m-20 -49.67 -25.61 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.4 -53.6 5.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD23 ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -50.09 -47.88 53.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.06 -58.24 9.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.82 -41.73 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' O ' ' CD2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -64.84 -34.57 78.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.9 ptt180 -70.25 -29.7 66.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.4 mt-30 -79.31 -30.76 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -71.29 -7.73 48.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.16 -9.7 32.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 73.5 mt-10 -61.44 -43.52 89.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.5 Cg_endo -74.93 175.23 11.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mpt_? -92.69 -11.66 33.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' CD ' HG23 ' A' ' 20' ' ' ILE . 7.6 tt0 -130.69 143.3 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.41 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -122.57 111.8 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 19' ' ' THR . 3.9 mp -124.07 138.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.5 t -116.81 113.4 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.4 p -131.23 157.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -97.56 160.83 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.22 102.69 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.87 144.21 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.475 ' OG1' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -82.71 166.89 33.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.475 ' HD2' ' OG1' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.98 142.91 28.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.12 165.05 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -115.56 -55.71 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.0 tpp 57.06 93.34 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 148.04 35.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.52 123.42 4.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 mp -42.77 -63.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.37 153.18 21.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.25 120.99 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.99 136.19 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -124.73 -167.83 12.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.66 41.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.15 149.03 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.6 m -49.03 167.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.9 142.93 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.803 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -121.93 112.43 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 97' ' ' VAL . 21.4 mm -93.97 107.7 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.87 129.24 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -108.36 103.88 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HG3' ' HZ2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -132.66 -174.43 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.13 163.36 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.06 102.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.14 34.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . . . -97.78 -17.59 19.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 149.84 16.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' CD2' ' A' ' 87' ' ' LEU . 98.7 mt -76.63 -46.96 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 121.48 -11.96 9.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' HE1' HD13 ' A' ' 29' ' ' LEU . 11.4 p90 -131.48 169.09 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -123.55 164.83 18.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 70' ' ' ILE . 4.3 mt -93.69 156.3 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.892 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.84 151.18 42.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.534 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 85.56 176.34 50.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -176.21 -171.75 40.29 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -83.11 -45.3 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.52 -11.94 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.8 mp -88.46 -178.39 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.36 -26.01 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.4 p30 -100.36 96.73 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.498 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 2.1 tptp -56.71 -45.89 81.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 ' OE2' ' A' ' 66' ' ' GLU . 8.7 p -81.39 126.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -72.72 136.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.624 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.0 p -121.96 173.09 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG21 HG23 ' A' ' 61' ' ' ILE . 45.7 t -75.57 102.75 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.892 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 12.6 t-80 -54.9 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.96 157.06 42.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' PHE . 11.8 t -124.11 95.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.5 m-30 -37.34 154.18 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.24 6.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -116.96 86.4 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.15 -174.96 26.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.19 -46.2 9.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.41 -53.84 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -60.49 -46.6 89.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.11 -53.28 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.97 -56.16 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 62' ' ' GLN . . . 97.21 7.21 57.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -86.14 -47.39 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 98' ' ' ILE . 21.3 mt -88.97 91.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' LYS . 64.2 mt-30 -106.91 133.31 51.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -37.38 132.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.05 -25.78 26.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.15 165.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.642 ' OE2' HG21 ' A' ' 43' ' ' VAL . 5.7 tt0 -102.89 121.76 43.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 70' ' ' ILE . 61.0 t -94.37 99.8 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 101' ' ' ARG . 2.5 mt -74.03 -46.74 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -154.49 164.16 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 33' ' ' LEU . 29.3 mt -142.54 115.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t-20 81.16 11.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.81 2.48 64.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 110.99 22.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -78.24 148.31 34.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.7 mt -82.5 104.11 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 12.72 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.01 26.78 2.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.771 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.93 144.37 49.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.382 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.7 p -69.74 -166.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.829 ' CD2' HD11 ' A' ' 84' ' ' LEU . 70.4 t60 -75.08 -45.09 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.586 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.2 t-160 -70.23 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.771 ' HB3' HG22 ' A' ' 78' ' ' THR . 9.1 m-20 -38.83 -30.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . -80.23 -54.23 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.6 mt -49.84 -48.34 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.81 -57.33 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.8 -35.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.77 -35.36 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.3 mtp180 -72.37 -14.04 61.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.74 -29.34 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.47 56.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.69 -8.67 28.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.9 mm-40 -63.36 -43.12 78.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -179.4 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -21.64 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 13.6 tt0 -122.63 151.56 41.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -138.9 142.46 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 20' ' ' ILE . 2.2 t -118.65 117.91 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -126.3 126.0 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 68' ' ' LEU . 14.5 t -102.86 113.72 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 66' ' ' GLU . 22.3 p -134.32 157.68 45.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.6 mtp180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.96 151.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 61' ' ' ILE . 1.1 m -131.45 102.4 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -96.28 107.61 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -93.01 127.06 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -99.14 104.3 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -141.3 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.07 172.35 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.3 mt-10 -57.14 103.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.89 42.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.6 -33.3 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.32 163.91 25.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 31' ' ' PHE . 2.1 mt -98.72 -47.13 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.39 -6.48 9.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.685 ' HD1' ' HB2' ' A' ' 55' ' ' ALA . 17.1 p90 -132.59 168.66 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.411 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -124.47 171.43 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 44' ' ' ILE . 3.5 mt -94.96 159.03 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -136.69 151.66 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -178.12 23.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -168.15 -159.03 12.93 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -90.82 -42.98 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.24 -15.96 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 39' ' ' LEU . 2.2 mp -84.97 -174.9 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.77 -31.34 46.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-20 -88.71 82.66 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 9.4 tptt -52.36 -27.18 14.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' OE2' ' A' ' 66' ' ' GLU . 4.5 p -101.89 118.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -64.12 142.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.26 172.33 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.4 t -75.57 99.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.812 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.5 t-160 -55.91 -61.47 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 162.29 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' PHE . 13.2 t -130.6 95.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.3 m-30 -36.84 153.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.98 86.19 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.29 -172.08 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 23' ' ' LYS . 2.2 mt -93.5 -44.01 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -41.34 -34.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -43.43 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -41.48 -52.1 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -60.03 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 3.8 57.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -88.38 -45.35 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.633 HD11 HG21 ' A' ' 19' ' ' THR . 5.4 mt -83.6 96.16 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 42.6 mt-30 -112.66 136.82 51.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -49.52 115.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -14.96 9.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 27.2 m120 -71.82 170.02 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.672 ' HA ' HG22 ' A' ' 45' ' ' THR . 20.1 tt0 -103.63 118.68 37.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 70' ' ' ILE . 85.8 t -90.24 102.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.617 HD11 ' HD2' ' A' ' 101' ' ' ARG . 4.3 mt -70.02 -51.11 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -150.26 166.85 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 33' ' ' LEU . 24.9 mt -142.08 119.74 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.19 9.66 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.81 2.68 58.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.87 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.62 146.97 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.5 mt -83.63 97.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.65 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 27.21 2.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.54 144.26 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -74.03 152.5 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.909 ' CD2' HD11 ' A' ' 84' ' ' LEU . 78.0 t60 -40.06 -47.04 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.613 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.843 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -68.67 -61.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 53.2 m-20 -43.3 -27.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.43 -51.72 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.909 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.2 mt -48.55 -48.78 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.02 -55.88 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.18 -36.55 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.42 -36.54 71.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.533 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -75.17 -9.71 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.3 mt-30 -97.25 -30.07 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.69 -8.14 52.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -12.28 23.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.9 mm-40 -59.19 -43.29 96.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 178.31 7.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -92.47 5.19 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.2 tt0 -145.76 154.12 41.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.04 140.04 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 114.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 100' ' ' THR . 4.4 mp -124.77 117.58 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.585 HG12 HD12 ' A' ' 68' ' ' LEU . 21.7 t -97.66 113.9 33.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 98' ' ' ILE . 27.6 p -135.48 151.37 50.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 97' ' ' VAL . 2.5 p -101.8 152.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -120.16 130.73 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 97' ' ' VAL . 20.2 mm -95.41 108.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -91.61 129.55 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -109.07 107.5 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -137.0 170.0 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -83.23 169.89 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 34.28 59.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -80.38 -32.71 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 163.22 29.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD2' ' HE3' ' A' ' 23' ' ' LYS . 4.2 mt -92.89 -41.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.74 -9.66 12.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 9.7 p90 -132.33 169.28 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -124.26 170.52 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.972 HD11 HD12 ' A' ' 70' ' ' ILE . 3.2 mt -95.88 156.79 16.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.875 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.27 151.04 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.91 179.32 52.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 175.92 173.99 42.08 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.02 -44.89 75.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -73.6 -23.51 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.0 mp -79.6 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.54 -31.73 42.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -93.94 101.85 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -59.11 -44.87 92.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG21 ' CD ' ' A' ' 66' ' ' GLU . 7.1 p -89.05 119.37 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -62.52 139.76 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -129.65 171.0 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.3 t -73.43 101.03 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.875 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 7.7 t-160 -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.41 151.66 30.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 56' ' ' SER . 12.5 t -115.54 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -38.67 154.19 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.73 8.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -116.67 86.41 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.15 -170.67 25.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -94.98 -49.05 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.21 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' HB2' HG12 ' A' ' 49' ' ' VAL . 1.3 t -76.48 -39.27 53.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -65.4 -44.87 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 23.1 mm-40 -58.29 -47.34 83.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.6 -0.9 87.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -81.66 -48.07 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.637 HD11 HD13 ' A' ' 98' ' ' ILE . 12.0 mt -90.59 91.45 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.3 mt-30 -106.77 128.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 130.59 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.96 -18.22 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 12.9 m120 -65.81 176.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.5 tt0 -111.21 124.79 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.6 t -93.88 120.04 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.1 mt -88.41 -49.41 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -158.67 160.49 36.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.972 HD12 HD11 ' A' ' 33' ' ' LEU . 40.0 mt -133.83 118.09 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.51 12.13 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -6.58 52.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.89 107.29 6.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -82.15 140.73 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.1 mt -84.85 91.12 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 14.59 9.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.6 26.97 2.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.886 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -68.07 149.05 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.374 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.3 p -77.93 166.54 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t-160 -52.65 -39.45 61.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.79 -58.77 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.886 ' CB ' HG22 ' A' ' 78' ' ' THR . 33.7 m-20 -56.0 -21.83 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -97.58 -25.58 15.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.9 -49.84 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.09 -52.39 65.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.94 -37.26 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.794 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.82 -36.26 80.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.626 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.7 mtp180 -70.84 -11.82 61.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 18.8 mt-30 -97.87 -31.0 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.76 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.82 -9.34 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.8 mm-40 -58.54 -43.14 97.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.03 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 2.0 mtt180 -107.39 -6.63 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 18.7 tt0 -135.1 157.09 47.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.24 144.83 31.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 18' ' ' VAL . 2.2 t -118.77 117.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.637 HD13 HD11 ' A' ' 61' ' ' ILE . 2.9 mp -125.25 112.51 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.409 HG22 ' HB ' ' A' ' 18' ' ' VAL . 5.1 t -93.21 117.69 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.2 p -138.28 154.57 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.593 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.12 150.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.654 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -133.01 109.19 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.655 HD13 HG22 ' A' ' 97' ' ' VAL . 16.5 mm -88.22 109.23 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.27 123.25 36.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -101.0 105.48 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.33 170.44 16.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -86.67 168.46 13.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.5 102.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.04 36.29 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -79.62 -33.31 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.46 166.12 35.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 5.5 mt -93.49 -45.69 7.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.763 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 120.52 -6.66 11.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.5 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 23.2 p90 -131.39 167.03 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.434 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.9 t -118.95 168.53 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 70' ' ' ILE . 4.2 mt -97.9 159.09 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.936 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -146.46 145.69 30.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' HD23 ' A' ' 39' ' ' LEU . . . 88.91 -175.57 43.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.672 ' N ' HD23 ' A' ' 39' ' ' LEU . . . 159.36 -179.82 34.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.86 -23.02 33.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 39' ' ' LEU . 5.9 t70 -72.29 -21.14 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.715 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -104.89 -148.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -97.86 -32.9 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -81.86 91.73 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.56 -44.82 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.686 HG21 ' OE2' ' A' ' 66' ' ' GLU . 15.0 p -83.79 132.69 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.574 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.9 mp -79.03 141.95 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -127.37 171.65 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG21 HG23 ' A' ' 61' ' ' ILE . 34.0 t -77.17 100.96 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.936 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.0 t-80 -55.11 -61.08 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.561 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 157.47 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' HB2' ' A' ' 56' ' ' SER . 18.2 t -125.58 95.84 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.8 m-30 -37.67 154.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.41 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -115.32 86.58 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.49 -170.21 21.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -95.35 -45.82 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -50.64 -44.32 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.709 ' HB2' HG12 ' A' ' 49' ' ' VAL . 23.2 t -69.68 -44.41 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -48.21 68.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HG2' HG23 ' A' ' 19' ' ' THR . 6.7 tp10 -58.36 -40.09 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.86 89.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.654 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -86.1 -46.97 9.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -90.44 96.92 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -110.64 131.25 55.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -38.3 133.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.53 -14.16 64.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.34 171.81 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.792 ' O ' HG22 ' A' ' 100' ' ' THR . 2.5 tp10 -102.77 132.58 48.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 70' ' ' ILE . 67.4 t -105.34 89.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 99' ' ' VAL . 1.9 mt -61.51 -49.71 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 p -150.39 168.74 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 33' ' ' LEU . 1.8 mt -144.93 118.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER 81.98 1.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.32 49.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -107.0 116.32 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 155.36 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.5 mt -89.52 111.14 21.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 12.19 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.42 26.29 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.823 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -50.74 144.92 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 5.0 p -72.73 172.73 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HD21 ' A' ' 39' ' ' LEU . 36.1 t60 -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 t-160 -71.51 -60.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.542 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.823 ' HB3' HG22 ' A' ' 78' ' ' THR . 85.4 m-20 -41.27 -29.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.33 -61.04 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 81' ' ' HIS . 4.0 mt -42.84 -43.36 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.93 -55.15 37.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -45.29 -50.59 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -56.7 -32.84 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -73.88 -27.49 61.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 4.9 mt-30 -85.11 -27.78 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.5 -7.77 55.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 -5.25 34.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 43.9 mt-10 -71.22 -43.26 12.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.05 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.56 -8.57 26.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.67 146.22 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.08 134.93 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 HD13 ' A' ' 20' ' ' ILE . 2.1 t -115.44 116.64 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 61' ' ' ILE . 3.0 mp -124.95 122.77 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.435 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.0 t -100.28 113.65 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 66' ' ' GLU . 42.8 p -137.18 165.86 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 t60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.84 140.78 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' HG2' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -129.88 126.75 38.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 97' ' ' VAL . 34.7 mm -102.48 108.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -88.83 126.79 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.04 105.22 15.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HE3' ' HB2' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -138.59 175.37 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.7 166.39 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.1 mt-10 -56.9 103.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.01 27.89 30.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -83.69 -32.82 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.38 162.91 38.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 1.8 mt -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 117.6 -3.66 17.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 22.7 p90 -137.25 167.98 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.44 177.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.797 HD11 HD12 ' A' ' 70' ' ' ILE . 5.1 mt -100.78 157.6 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.69 149.83 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 80.8 177.4 51.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.655 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -172.99 -165.75 30.44 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.65 -41.66 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.8 -18.63 61.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 39' ' ' LEU . 5.1 mp -82.25 -176.3 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.56 -35.24 34.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -88.4 87.45 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 6.6 tppt? -53.1 -30.76 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 p -93.82 113.78 29.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.655 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.8 mp -60.94 140.96 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.9 p -126.94 176.32 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CG2' ' A' ' 61' ' ' ILE . 58.4 t -77.94 103.79 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.6 t-160 -57.93 -61.15 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.73 155.77 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -123.49 97.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -39.82 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.84 7.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -116.61 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.36 -172.9 26.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -90.74 -46.29 8.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -46.57 -34.37 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 -42.16 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.68 -47.71 81.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HG2' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -63.9 -42.05 97.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.44 13.39 83.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -90.05 -48.75 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 10.7 mt -90.54 98.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -115.12 131.4 56.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.42 120.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.42 -22.14 11.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 167.98 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.663 ' HA ' HG22 ' A' ' 45' ' ' THR . 9.2 tt0 -104.92 114.17 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.62 105.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.65 -48.43 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -155.17 165.25 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 33' ' ' LEU . 39.6 mt -142.34 123.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.2 t-20 77.27 1.33 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.15 49.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -100.43 113.62 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.09 149.53 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.63 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.3 mt -83.07 104.39 13.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 13.41 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.85 26.31 3.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.37 146.41 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.398 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 1.2 p -74.17 157.46 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.948 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.0 t60 -43.97 -49.23 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.633 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.796 ' HA ' HD12 ' A' ' 84' ' ' LEU . 20.5 t-160 -67.31 -61.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.831 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.2 m-20 -43.37 -28.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -51.3 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.8 mt -51.51 -47.75 63.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.93 -55.02 33.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.64 -35.04 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.731 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.52 -36.12 68.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.6 mtt180 -73.63 -10.09 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.78 -26.64 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.41 -7.39 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -8.21 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 56.4 mt-10 -64.84 -43.63 69.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 176.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -91.64 -2.77 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.1 51.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.654 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.45 134.57 35.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.91 121.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -129.41 117.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.11 114.94 35.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -138.6 159.91 40.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.2 t60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -79.87 145.83 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.86 120.37 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 97' ' ' VAL . 26.5 mm -98.62 107.73 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -95.69 122.14 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -99.96 110.78 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.635 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -139.66 -175.96 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.9 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.45 169.41 11.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 4.9 mt-10 -69.25 100.74 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.74 4.13 59.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.9 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.86 -33.3 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.85 164.58 37.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' PHE . 2.4 mt -87.84 -39.37 14.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.38 -2.69 16.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 29' ' ' LEU . 19.7 p90 -138.3 168.03 20.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -121.74 176.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -100.87 157.79 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.58 151.54 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 84.49 175.89 50.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.68 -177.28 41.24 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -79.59 -48.2 14.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -72.73 -7.44 50.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -91.7 -167.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.97 -22.39 25.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.63 86.92 3.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HE3' ' HB1' ' A' ' 37' ' ' ALA . 9.6 tptm -52.35 -33.85 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.62 116.15 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -59.84 145.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.68 170.96 14.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 61' ' ' ILE . 41.1 t -72.59 101.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.878 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 13.3 t-160 -53.96 -60.98 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -151.09 157.81 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.93 99.78 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.8 m-30 -41.01 153.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.68 9.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -116.86 85.87 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.39 -178.0 33.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -86.21 -47.04 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' N ' HD21 ' A' ' 21' ' ' LEU . . . -48.41 -28.63 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -38.13 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.16 -45.77 90.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.05 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 9.22 82.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 -48.59 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.437 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 98' ' ' ILE . 11.8 mt -88.63 92.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -107.99 133.96 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -38.0 132.76 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -25.29 28.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.17 174.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.762 ' O ' HG22 ' A' ' 100' ' ' THR . 0.6 OUTLIER -106.17 122.59 46.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' LEU . 42.4 t -97.82 89.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.46 -48.77 78.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.0 p -147.98 168.02 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -137.63 113.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.5 t30 76.88 9.47 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.73 -0.92 52.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -93.96 118.66 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.95 150.58 28.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.0 mt -84.61 106.27 16.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 13.16 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.84 26.41 3.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.852 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -58.83 142.43 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.444 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 p -72.12 -167.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.879 ' O ' HD22 ' A' ' 84' ' ' LEU . 36.0 t60 -72.33 -42.24 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.8 t-160 -75.83 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' ILE . 89.1 m-20 -42.88 -29.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.44 -56.18 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -45.1 -50.96 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.78 -53.49 57.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.42 -39.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.696 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.01 -34.56 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.4 mtt-85 -69.07 -17.53 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -87.57 -27.61 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.52 -6.53 57.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 -5.38 38.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 25.9 mt-10 -75.05 -44.59 4.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.03 175.56 11.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 3.9 mtp180 -91.91 -4.46 54.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 9.3 tt0 -135.68 148.61 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -141.88 125.75 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -100.71 116.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.781 HD13 HD11 ' A' ' 61' ' ' ILE . 1.5 mp -121.2 121.3 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.0 t -100.8 113.71 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 66' ' ' GLU . 41.3 p -136.38 176.37 8.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 p -76.38 141.49 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.84 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -123.25 112.31 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.655 ' CD1' HG22 ' A' ' 97' ' ' VAL . 38.6 mm -95.18 121.76 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 ' CD2' HG22 ' A' ' 19' ' ' THR . 1.8 mm? -109.55 128.06 54.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -142.3 172.28 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.3 167.8 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.03 102.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.91 28.98 27.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.04 -33.47 21.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.54 163.6 34.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -88.79 -46.94 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.01 -2.63 9.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 29' ' ' LEU . 18.1 p90 -137.8 168.99 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.3 176.07 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HD12 ' A' ' 70' ' ' ILE . 4.9 mt -102.03 157.45 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.871 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.94 151.46 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.19 174.6 45.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.549 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -170.03 -168.47 31.95 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.71 -46.19 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.49 -13.36 61.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.2 mp -83.57 -174.37 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.01 -34.45 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 9.1 p30 -94.84 95.88 8.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.487 ' NZ ' ' HB1' ' A' ' 37' ' ' ALA . 11.3 tptt -53.37 -45.12 69.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.2 p -82.05 124.25 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -67.87 145.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 66' ' ' GLU . 3.2 p -128.74 175.96 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 61' ' ' ILE . 57.5 t -79.54 106.3 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.871 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -62.18 -61.5 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.62 151.66 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -120.3 95.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.9 m-30 -37.58 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.34 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.59 86.36 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.96 -175.1 30.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -89.69 -51.28 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.45 -27.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -82.36 -50.77 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -53.92 -45.19 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.09 -62.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.19 1.38 44.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.84 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.4 m -78.16 -45.62 22.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 98' ' ' ILE . 3.6 mt -95.23 97.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 57.8 mt-30 -115.43 127.71 55.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -43.07 110.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.93 -10.04 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 29.2 m120 -79.03 -175.1 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.675 ' OE2' HG21 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -114.99 131.22 56.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.236 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.42 112.92 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.8 mt -84.79 -47.54 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -152.66 166.11 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.617 HD12 HD11 ' A' ' 33' ' ' LEU . 6.5 mt -141.4 117.9 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 80.06 0.22 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.28 1.61 38.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 114.23 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.44 149.24 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.8 mt -83.0 107.61 15.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 12.17 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.682 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.907 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.78 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.373 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -72.49 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CD2' HD11 ' A' ' 84' ' ' LEU . 85.2 t60 -52.72 -40.67 63.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -71.69 -67.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.553 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.907 ' CB ' HG22 ' A' ' 78' ' ' THR . 80.5 m-20 -38.77 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -76.24 -55.57 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 80' ' ' HIS . 5.0 mt -46.35 -48.05 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.55 -57.37 12.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -38.56 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.907 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.2 -34.72 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.4 mtp180 -71.14 -18.01 62.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -86.96 -24.82 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -80.99 -6.9 59.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -100.09 -4.91 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.68 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.79 -39.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.17 -13.51 13.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.3 146.44 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.8 132.64 40.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -110.51 118.48 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.709 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.14 121.14 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 68' ' ' LEU . 17.0 t -103.02 114.66 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.535 HG23 HG22 ' A' ' 98' ' ' ILE . 68.1 p -135.82 159.24 42.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.623 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 p80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -73.74 149.23 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.853 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -133.43 102.73 5.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.486 HD13 HG22 ' A' ' 97' ' ' VAL . 18.7 mm -85.02 109.64 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -96.32 125.46 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -105.6 110.66 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.637 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.47 177.58 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -97.45 169.79 9.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 6.8 mm-40 -50.82 122.12 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 53.66 31.97 46.12 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -33.37 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.46 162.9 32.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 96' ' ' ALA . 1.9 mt -87.64 -47.46 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.561 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.3 -4.95 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 16.1 p90 -135.07 168.97 18.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.475 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.8 t -122.99 172.2 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 44' ' ' ILE . 2.3 mt -97.58 158.44 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -138.12 151.76 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.42 -166.95 14.22 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -160.09 -144.19 3.89 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.52 -41.06 6.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -93.04 -4.12 53.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.03 167.94 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -37.75 -36.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 43' ' ' VAL . 30.2 p-10 -106.35 150.11 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' NZ ' ' HA2' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -97.03 -29.4 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -102.58 124.16 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.64 121.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 21.5 p -101.85 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 HG23 ' A' ' 61' ' ' ILE . 33.8 t -79.86 101.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.696 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 17.2 t-160 -52.76 -61.06 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.51 158.27 43.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' PHE . 16.8 t -126.0 95.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -36.51 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.46 10.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -117.22 85.78 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.32 -168.72 22.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -94.81 -45.75 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.54 18.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -80.87 -42.08 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.41 -42.08 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 24.3 mm-40 -66.52 -46.2 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.86 -5.26 76.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.853 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.1 m -71.05 -48.33 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 98' ' ' ILE . 31.4 mt -86.86 90.86 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 47.0 mt-30 -98.26 139.79 33.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.21 128.7 25.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.01 14.95 53.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 45' ' ' THR . 1.4 m120 -86.2 176.68 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.52 94.8 5.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.759 HG11 HD11 ' A' ' 70' ' ' ILE . 30.0 t -72.31 108.96 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 99' ' ' VAL . 5.8 mt -76.53 -52.71 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 p -147.95 156.28 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.759 HD11 HG11 ' A' ' 67' ' ' VAL . 8.5 mt -134.28 128.56 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t-20 64.82 13.02 8.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 -1.44 61.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -86.78 117.49 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -86.33 145.65 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 67' ' ' VAL . 4.3 mt -84.0 97.15 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 14.27 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA2' ' NZ ' ' A' ' 42' ' ' LYS . . . 118.71 26.21 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.819 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.68 138.46 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 44.3 p -72.43 -167.41 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.894 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.4 t60 -71.86 -35.26 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.7 t-160 -77.78 -69.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.819 ' HB3' HG22 ' A' ' 78' ' ' THR . 31.6 m-20 -39.51 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -77.9 -54.81 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.2 -53.34 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -54.52 -54.73 37.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -46.02 -38.72 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.783 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.68 -36.59 76.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.9 mtt85 -71.51 -11.26 60.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 71' ' ' ASN . . . -76.28 -7.58 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -98.33 -4.77 34.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 32.7 mt-10 -71.95 -43.63 10.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -108.62 -15.58 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.2 tt0 -124.08 148.73 46.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.529 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -128.93 137.56 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 20' ' ' ILE . 2.0 t -117.77 111.75 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.69 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -122.92 123.63 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.675 HG12 HD12 ' A' ' 68' ' ' LEU . 24.4 t -103.63 113.62 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 98' ' ' ILE . 79.0 p -133.52 158.61 42.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.88 151.69 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.692 HG22 HD21 ' A' ' 21' ' ' LEU . 11.9 m -126.35 116.43 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 97' ' ' VAL . 14.4 mm -115.58 107.65 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 58' ' ' GLU . 2.9 mm? -104.36 131.81 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -95.92 113.25 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.599 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.85 173.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -96.09 168.22 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.93 102.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.68 30.22 24.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.48 -32.85 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.54 164.48 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.2 -47.32 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 120.65 1.87 11.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.7 p90 -143.54 170.51 15.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 167.41 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 70' ' ' ILE . 5.5 mt -92.55 162.14 14.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.939 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -149.4 132.44 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' CA ' HD22 ' A' ' 39' ' ' LEU . . . 106.36 175.36 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . 168.98 160.25 16.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -56.55 -37.6 70.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.4 -23.69 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD22 ' CA ' ' A' ' 35' ' ' GLY . 6.9 mp -82.28 176.89 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.27 -37.57 83.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.6 m-20 -89.61 156.3 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -20.8 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 66' ' ' GLU . 1.5 t -97.31 113.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.626 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -66.18 115.65 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.4 p -104.2 164.59 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.541 HG21 HG23 ' A' ' 61' ' ' ILE . 40.9 t -71.11 103.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.939 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -52.82 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 155.89 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 61' ' ' ILE . 12.1 t -121.49 96.28 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' GLY . 5.9 m-30 -36.32 151.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.28 12.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -116.95 85.2 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -164.73 18.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -93.2 -57.3 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.18 -27.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -40.47 55.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.1 mt-30 -66.93 -55.47 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.78 ' OE1' HD11 ' A' ' 21' ' ' LEU . 17.4 pt-20 -58.26 -40.79 82.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . 74.69 0.86 60.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 m -68.96 -44.17 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.541 HG23 HG21 ' A' ' 46' ' ' VAL . 42.3 mt -92.09 90.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 67.0 mt-30 -97.76 143.39 28.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -51.99 128.5 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.58 13.98 48.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 5.8 m120 -94.04 129.3 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' HG13 ' A' ' 43' ' ' VAL . 16.2 tt0 -64.79 108.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.577 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -81.03 86.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.71 -62.03 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.4 p -151.0 175.01 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.898 HG22 ' OD1' ' A' ' 71' ' ' ASN . 13.8 mt -144.78 120.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.898 ' OD1' HG22 ' A' ' 70' ' ' ILE . 9.9 m120 73.5 4.51 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.72 5.59 47.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -91.17 106.48 18.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -75.48 138.93 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.0 mt -76.53 95.5 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 13.45 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.07 26.66 2.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.61 141.72 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -79.11 154.07 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.995 ' CD2' HD11 ' A' ' 84' ' ' LEU . 58.3 t60 -40.25 -43.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.3 t-160 -67.35 -59.35 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 4.8 m-20 -50.26 -24.93 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.15 -53.91 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.995 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.1 mt -45.58 -48.51 14.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.61 -56.32 23.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.11 -35.43 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.683 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.19 -34.69 71.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mtp85 -71.28 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.412 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 8.5 mt-30 -91.91 -26.57 18.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.3 -7.29 53.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -4.95 35.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -73.44 -44.57 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.01 -170.65 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -12.63 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.594 ' NE2' HD12 ' A' ' 20' ' ' ILE . 8.6 tt0 -130.62 145.44 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -121.83 141.17 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 20' ' ' ILE . 2.1 t -119.55 118.63 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.443 HG23 HG13 ' A' ' 67' ' ' VAL . 3.7 mp -135.21 121.98 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.76 113.76 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.433 HG23 HG22 ' A' ' 98' ' ' ILE . 82.5 p -132.17 157.13 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.72 148.13 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.828 HG22 HD21 ' A' ' 21' ' ' LEU . 3.9 m -125.26 103.1 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 ' CD ' ' A' ' 95' ' ' GLN . 18.4 mm -95.8 114.26 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 19' ' ' THR . 1.3 mm? -106.37 123.43 48.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.56 102.14 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -126.41 -174.51 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.91 152.87 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 10.3 pt-20 -53.66 102.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.39 26.32 16.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.98 -33.4 13.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.33 165.86 28.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 4.1 mt -94.33 -47.51 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.45 -5.9 14.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -136.0 170.09 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.792 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 33' ' ' LEU . 30.3 t -127.31 169.19 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.909 HD11 HD12 ' A' ' 70' ' ' ILE . 3.4 mt -94.88 158.18 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -139.3 151.09 46.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.23 176.1 27.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -162.2 -162.95 13.99 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -87.66 -45.75 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.89 -18.26 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.9 mp -81.56 -179.95 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.18 -38.02 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -85.38 85.87 7.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.0 tptp -53.18 -38.28 62.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG21 ' CD ' ' A' ' 66' ' ' GLU . 2.5 p -90.89 117.89 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 44' ' ' ILE . 1.9 mp -64.49 136.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -124.63 172.12 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.658 HG21 HG23 ' A' ' 61' ' ' ILE . 41.9 t -75.07 101.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 1.4 t-80 -55.36 -61.47 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 153.67 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -120.12 96.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -39.66 154.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.84 6.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -115.48 86.83 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.66 -171.86 25.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -50.4 5.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.5 -33.22 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -75.72 -46.81 28.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.89 -42.43 65.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.67 ' HG2' HG23 ' A' ' 19' ' ' THR . 4.5 tp10 -62.7 -56.17 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.65 -4.89 66.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.679 HG21 ' OG1' ' A' ' 19' ' ' THR . 2.3 m -78.37 -44.41 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.658 HG23 HG21 ' A' ' 46' ' ' VAL . 8.7 mt -86.68 96.52 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' LYS . 34.9 mt-30 -110.26 132.4 54.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -37.21 130.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.5 -27.55 19.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -46.46 161.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HA ' HG22 ' A' ' 45' ' ' THR . 7.6 tt0 -98.94 115.06 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HA ' HG22 ' A' ' 100' ' ' THR . 88.4 t -87.14 104.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.794 HD11 ' HD2' ' A' ' 101' ' ' ARG . 1.8 mt -74.34 -47.27 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.79 161.72 40.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.909 HD12 HD11 ' A' ' 33' ' ' LEU . 5.3 mt -135.69 121.89 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.1 6.52 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 -0.35 46.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -89.44 113.46 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 m -81.01 147.04 30.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.7 mt -84.23 97.71 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 13.74 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.13 26.7 2.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.848 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.02 142.89 50.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.405 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 p -72.86 175.26 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.442 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 84' ' ' LEU . 41.8 t60 -58.06 -45.21 87.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -72.35 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.848 ' HB3' HG22 ' A' ' 78' ' ' THR . 35.8 m-20 -42.91 -28.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.14 -59.6 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.746 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.3 mt -47.57 -42.25 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -63.91 -59.07 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.87 -36.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.71 -36.89 73.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.646 ' N ' HD13 ' A' ' 87' ' ' LEU . 42.1 mtt180 -65.97 -9.61 31.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 11.4 mt-30 -100.18 -26.52 13.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -8.45 30.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CG ' ' HG ' ' A' ' 29' ' ' LEU . 2.2 mtp85 -97.54 -4.55 37.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 28.8 mt-10 -69.7 -43.39 21.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -100.14 -3.4 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' CD ' HG23 ' A' ' 20' ' ' ILE . 3.6 tt0 -142.46 144.34 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.68 133.62 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.17 111.91 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -124.43 125.17 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.605 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -108.74 113.56 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 67' ' ' VAL . 68.6 p -131.96 160.33 36.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.794 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.06 151.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.923 HG22 HD21 ' A' ' 21' ' ' LEU . 6.9 m -121.39 110.52 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.649 HG23 ' OE1' ' A' ' 95' ' ' GLN . 27.5 mm -110.15 107.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HG22 ' A' ' 19' ' ' THR . 2.6 mm? -107.21 126.34 52.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -94.93 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -174.77 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 4.9 mt-10 -102.61 163.74 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.73 102.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.57 39.83 11.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -96.93 -27.86 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 91' ' ' ARG . . . 102.05 151.14 23.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.821 HD12 HD21 ' A' ' 87' ' ' LEU . 68.4 mt -81.8 -47.26 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.41 -12.26 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 29' ' ' LEU . 10.7 p90 -131.15 167.09 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.56 172.63 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 44' ' ' ILE . 4.5 mt -103.27 155.21 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.938 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -139.26 151.24 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 88.6 -179.73 46.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 172.48 170.42 36.26 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.83 -21.16 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.6 mp -86.53 -168.83 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.34 -25.46 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -96.26 99.93 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 25.2 mmtm -59.86 -46.13 90.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -88.09 118.22 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG21 HD13 ' A' ' 33' ' ' LEU . 1.5 mp -59.89 154.86 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.859 HG22 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -140.22 -179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 65' ' ' ASN . 11.1 t -83.52 99.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.938 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 t-160 -58.96 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 154.83 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 56' ' ' SER . 15.8 t -124.06 98.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m-30 -39.96 153.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.41 11.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -117.35 86.22 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.76 -169.97 23.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.0 -49.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.32 -35.46 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.689 ' HB2' HG12 ' A' ' 49' ' ' VAL . 36.9 t -77.59 -47.32 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -55.79 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.49 -42.49 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -5.84 82.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -63.7 -49.27 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 0.769 . . . . 0.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 19.7 mt -96.9 90.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 59.9 mt-30 -104.19 126.81 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 12.2 ttpt -39.08 106.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ASN . . . 140.08 -16.35 3.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.672 ' HB2' HG23 ' A' ' 46' ' ' VAL . 31.7 m120 -53.81 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.859 ' HA ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -115.8 -17.75 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' ' 45' ' ' THR . 6.3 t 45.79 93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 101' ' ' ARG . 1.2 mt -74.22 -49.59 22.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.9 p -156.45 178.36 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.915 HG22 ' OD1' ' A' ' 71' ' ' ASN . 36.1 mt -145.93 124.59 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.915 ' OD1' HG22 ' A' ' 70' ' ' ILE . 15.2 m120 70.47 7.12 6.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.79 55.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 106.19 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 126.45 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 44' ' ' ILE . 12.0 mt -68.4 101.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 13.79 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.64 26.81 2.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.849 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.7 143.36 42.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 6.6 p -76.44 160.27 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.877 ' CD2' HD11 ' A' ' 84' ' ' LEU . 56.9 t60 -45.58 -44.82 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.6 t-160 -67.86 -60.11 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.849 ' CB ' HG22 ' A' ' 78' ' ' THR . 21.6 m-20 -46.74 -27.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.33 -54.79 4.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.6 mt -49.27 -46.11 45.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.84 -57.18 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.52 -33.94 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.821 HD21 HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.02 -34.33 66.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.1 mtt180 -70.74 -18.32 62.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 12.7 mt-30 -87.02 -30.46 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.75 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' NH1' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -98.19 -4.77 34.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.61 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -71.45 -44.85 13.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -22.74 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.649 ' OE1' HG23 ' A' ' 20' ' ' ILE . 9.0 tt0 -124.78 147.46 48.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -126.58 142.14 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.52 115.55 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.54 121.13 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.0 125.14 44.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 7.2 p -144.53 143.66 30.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.403 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.96 137.31 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.778 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.7 m -114.18 104.26 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.512 ' CD1' HG22 ' A' ' 97' ' ' VAL . 21.9 mm -91.96 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -98.0 132.31 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -111.16 103.27 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -129.96 -174.9 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -87.54 169.55 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.0 mt-10 -67.61 101.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.89 10.28 64.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.07 158.55 26.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.518 HD23 ' HE2' ' A' ' 23' ' ' LYS . 5.6 mt -84.24 -47.55 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.7 -5.59 9.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -137.23 167.34 21.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -121.77 163.46 19.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.798 HD11 HD12 ' A' ' 70' ' ' ILE . 6.9 mt -92.58 158.97 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.43 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 176.23 50.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -173.91 -166.93 32.82 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.25 -45.62 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.59 -22.86 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.3 mp -79.14 178.02 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -40.68 71.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' GLY . 83.1 m-20 -83.11 94.97 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -56.24 -45.61 79.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG21 ' CD ' ' A' ' 66' ' ' GLU . 9.3 p -87.27 119.03 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.0 mp -60.15 141.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.0 p -127.56 173.11 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 61' ' ' ILE . 48.4 t -76.87 105.16 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.4 t-160 -59.82 -61.48 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.86 152.07 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.08 103.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.3 m-30 -45.18 154.72 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.54 8.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -116.02 86.12 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.1 -167.19 19.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -95.2 -53.68 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -41.8 -29.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.57 -45.8 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.9 mt-30 -58.21 -45.36 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -62.4 -59.3 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 13.23 35.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.778 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -91.71 -48.82 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.43 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 mt -92.55 99.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 24.2 mt-30 -117.25 126.35 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -42.13 108.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 129.42 -12.08 6.03 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 33.8 m120 -78.94 -177.04 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG21 ' A' ' 43' ' ' VAL . 1.3 tt0 -114.97 127.44 55.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.58 ' HA ' HG22 ' A' ' 100' ' ' THR . 59.3 t -95.73 117.92 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 101' ' ' ARG . 3.5 mt -87.77 -48.51 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -157.09 165.81 35.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.798 HD12 HD11 ' A' ' 33' ' ' LEU . 39.7 mt -142.64 131.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 64.92 12.58 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.84 6.58 63.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -92.25 106.67 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.45 135.7 42.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.4 mt -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 13.22 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.1 26.28 3.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.91 144.36 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.43 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -73.95 172.76 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.789 ' CD2' HD11 ' A' ' 84' ' ' LEU . 45.1 t60 -56.43 -45.53 80.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.3 t60 -71.1 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.829 ' HB3' HG22 ' A' ' 78' ' ' THR . 84.7 m-20 -45.24 -26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -84.41 -61.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.789 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.4 mt -42.39 -45.6 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.52 -57.05 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.55 -39.52 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.759 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.39 -35.88 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' N ' HD13 ' A' ' 87' ' ' LEU . 6.4 mtp85 -72.84 -16.13 61.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.64 -28.65 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.56 -7.89 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -9.4 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -65.6 -43.99 63.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.0 -178.34 4.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -92.73 -17.68 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.3 tt0 -128.91 147.0 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.52 147.03 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.61 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.517 HG22 HG23 ' A' ' 100' ' ' THR . 3.6 mp -126.36 129.89 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 68' ' ' LEU . 3.3 t -111.56 113.62 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 67' ' ' VAL . 82.7 p -135.0 150.53 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.624 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.2 t60 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -87.74 136.79 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.901 ' OG1' HG21 ' A' ' 60' ' ' THR . 3.0 m -120.41 111.59 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 97' ' ' VAL . 27.2 mm -95.75 115.15 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -102.08 126.86 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -98.79 107.29 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -133.65 176.58 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -97.85 170.51 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.24 114.56 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.87 29.05 72.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 -33.23 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.04 163.91 32.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -87.32 -46.86 9.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.94 -4.99 8.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 29' ' ' LEU . 11.7 p90 -137.28 168.83 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.493 ' C ' HD23 ' A' ' 33' ' ' LEU . 81.0 p -120.33 177.57 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 44' ' ' ILE . 5.0 mt -103.38 160.38 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.78 151.53 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.83 175.7 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -167.51 -168.41 29.63 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -81.47 -43.1 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.3 mp -78.44 -175.34 4.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.68 -33.5 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -88.16 88.61 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.33 -44.31 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.44 120.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.607 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -60.56 152.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -138.48 175.92 9.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CG2' ' A' ' 61' ' ' ILE . 45.6 t -82.43 96.58 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 10.9 t-160 -54.49 -60.92 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -145.86 157.1 43.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 t -123.54 96.05 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -38.8 152.08 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.77 9.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -116.26 86.09 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.04 -165.57 19.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.8 mt -95.84 -45.81 6.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.7 -19.15 15.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.54 -19.53 19.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -35.47 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -63.16 -64.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.06 8.01 34.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.901 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -94.46 -48.79 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.554 ' CG2' HG21 ' A' ' 46' ' ' VAL . 10.2 mt -89.36 98.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.09 131.97 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.2 ttpp -47.29 114.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.15 -10.14 10.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -74.96 -176.98 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 45' ' ' THR . 14.4 tt0 -115.19 116.75 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.55 118.53 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.6 mt -86.92 -50.2 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 p -148.74 167.56 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -142.41 119.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER 78.27 0.36 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.71 1.27 36.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 116.84 30.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.84 150.79 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.586 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.2 mt -83.26 103.51 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 13.02 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.84 26.49 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.879 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -57.28 140.05 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -71.98 162.59 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.7 t60 -48.98 -32.01 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.75 -60.76 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.879 ' HB3' HG22 ' A' ' 78' ' ' THR . 7.5 m-20 -46.0 -27.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.73 -53.11 7.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -49.32 -52.45 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.8 -52.91 63.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.41 -39.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.749 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.5 -32.93 73.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mtt-85 -72.69 -12.84 61.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -94.04 -32.3 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.08 -8.76 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 6.8 mtt180 -98.04 -9.79 25.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -62.27 -43.03 84.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.03 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.6 mpt_? -107.58 -19.19 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.03 146.32 46.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -126.74 134.55 50.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -114.41 119.45 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.53 ' CD1' HD23 ' A' ' 21' ' ' LEU . 4.0 mp -128.05 126.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 68' ' ' LEU . 21.3 t -107.73 120.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -139.3 163.39 32.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -70.92 153.16 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 HG22 HD21 ' A' ' 21' ' ' LEU . 2.0 m -135.1 114.08 12.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.531 ' O ' HD13 ' A' ' 21' ' ' LEU . 33.3 mm -97.47 126.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.2 mm? -116.32 121.54 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -84.43 111.37 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.832 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.7 pttp -135.89 -173.72 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' H ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 mt-10 -117.63 166.81 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 102.93 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.08 31.52 17.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' H ' ' A' ' 24' ' ' GLU . . . -97.94 -30.77 12.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.2 33.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -80.99 -46.84 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.41 -2.7 8.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 29' ' ' LEU . 12.1 p90 -139.78 175.93 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -129.01 172.84 10.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.816 HD13 HG21 ' A' ' 44' ' ' ILE . 6.4 mt -99.16 161.59 13.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.28 151.53 40.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 65.0 -171.12 23.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -175.27 -150.26 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.03 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.44 -18.68 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' HA2' ' A' ' 35' ' ' GLY . 6.4 mp -83.5 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.37 -33.99 42.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLY . 78.3 m-20 -86.97 87.37 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -53.82 -20.36 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -105.66 123.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.816 HG21 HD13 ' A' ' 33' ' ' LEU . 1.9 mp -65.92 110.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -96.53 170.0 9.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CG2' ' A' ' 61' ' ' ILE . 46.7 t -79.86 104.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.773 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 18.9 t-160 -55.79 -61.45 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 109.646 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 56' ' ' SER . 21.8 t -126.41 94.54 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.6 m-30 -37.51 153.12 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.29 9.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -117.16 86.19 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.45 -164.07 15.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -96.01 -55.53 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.79 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.671 ' HB2' HG12 ' A' ' 49' ' ' VAL . 29.3 t -74.42 -51.27 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.57 -34.8 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HG3' HG23 ' A' ' 19' ' ' THR . 3.9 mm-40 -70.14 -59.32 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.85 -2.93 58.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -83.48 -44.22 14.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.57 ' CG2' HG21 ' A' ' 46' ' ' VAL . 17.8 mt -87.96 90.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . 54.3 mt-30 -103.15 132.27 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.4 ttpp -44.32 111.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.59 16.17 6.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 62' ' ' GLN . 28.0 m120 -108.84 139.65 43.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.672 ' CD ' HG12 ' A' ' 43' ' ' VAL . 4.5 tp10 -67.95 131.09 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 70' ' ' ILE . 89.4 t -100.16 86.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 99' ' ' VAL . 11.2 mt -43.13 -62.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -146.08 171.38 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.805 HD11 HG11 ' A' ' 67' ' ' VAL . 46.3 mt -142.49 123.19 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.31 5.72 5.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.53 6.32 53.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.425 1.078 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -99.17 111.84 24.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 150.49 39.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.747 HD11 ' O ' ' A' ' 67' ' ' VAL . 5.1 mt -84.24 102.44 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.37 11.49 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.54 27.01 3.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.76 143.15 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.38 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 p -75.48 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.859 ' CD2' HD11 ' A' ' 84' ' ' LEU . 72.2 t60 -49.9 -45.67 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.751 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.1 t-80 -69.3 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.886 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.2 m-20 -45.91 -26.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.45 -48.11 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.859 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.7 mt -50.55 -51.89 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.99 -52.4 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.886 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -70.66 -33.09 70.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' ALA . 83.6 mtt180 -69.73 -13.51 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 21.5 mt-30 -93.46 -31.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.01 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -98.4 -5.98 31.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 3.8 mm-40 -68.74 -43.31 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 173.46 14.48 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' LYS . 8.2 mtm-85 -91.54 6.95 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -143.8 144.57 31.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -118.0 130.84 56.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.15 115.3 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 21' ' ' LEU . 2.9 mp -130.36 129.98 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 68' ' ' LEU . 6.9 t -112.15 115.68 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 p -134.75 163.29 30.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -77.47 144.02 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.985 HG23 ' HG2' ' A' ' 58' ' ' GLU . 24.4 m -127.51 106.59 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 97' ' ' VAL . 28.7 mm -97.26 108.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -92.56 133.2 36.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.48 ' N ' HD13 ' A' ' 54' ' ' LEU . 3.8 m80 -112.97 101.34 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -135.58 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.16 168.14 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.74 107.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.94 25.66 55.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.94 -33.29 30.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 163.2 35.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.6 mt -85.74 -47.2 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 125.45 -5.6 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 27.1 p90 -132.92 165.05 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 0.816 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 47' ' ' HIS . 7.3 m -117.74 166.64 12.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 70' ' ' ILE . 4.1 mt -94.17 159.42 15.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -147.57 151.27 36.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.632 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 89.08 -160.88 29.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 161.16 -177.67 37.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -76.37 -50.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.31 -24.2 61.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 35' ' ' GLY . 9.0 mp -72.51 176.56 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.43 -40.48 81.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -88.31 97.27 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -53.21 -46.0 68.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.929 HG21 ' OE2' ' A' ' 66' ' ' GLU . 7.1 p -88.18 124.07 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.679 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -60.7 152.42 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.2 p -138.64 172.36 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 61' ' ' ILE . 40.7 t -76.73 99.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -55.41 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -143.03 145.73 33.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 61.6 t -112.51 91.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.8 m-30 -38.29 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.8 14.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -115.26 84.59 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.82 -171.99 29.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 23' ' ' LYS . 17.7 mt -89.25 -50.85 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -40.4 -55.2 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -54.47 -41.27 69.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -69.45 -38.91 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.985 ' HG2' HG23 ' A' ' 19' ' ' THR . 23.8 tp10 -58.86 -57.87 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.03 59.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.667 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.3 m -95.2 -49.15 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -85.1 94.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -111.4 127.45 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -43.87 110.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.02 -11.68 7.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -75.01 177.85 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.929 ' OE2' HG21 ' A' ' 43' ' ' VAL . 6.3 tt0 -108.97 124.46 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 70' ' ' ILE . 51.6 t -94.99 122.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 99' ' ' VAL . 3.9 mt -90.91 -50.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -151.99 164.02 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.502 ' CD1' HD11 ' A' ' 33' ' ' LEU . 85.8 mt -138.66 121.06 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.41 9.24 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.22 47.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -82.98 110.77 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.53 137.97 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.6 mt -79.8 97.27 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 13.33 10.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.25 26.85 2.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.74 142.49 49.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.426 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.0 p -75.46 177.89 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.896 ' O ' HD22 ' A' ' 84' ' ' LEU . 35.1 t60 -59.39 -42.46 91.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -73.78 -63.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.86 ' HB3' HG22 ' A' ' 78' ' ' THR . 70.6 m-20 -43.9 -27.32 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.35 -58.36 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.896 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -43.74 -48.32 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -56.92 -56.83 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -45.43 -47.34 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.778 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.99 -29.0 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.6 mt-30 -78.27 -30.78 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.43 -7.5 47.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 3.0 mtt-85 -98.25 -5.99 32.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.6 mm-40 -69.97 -44.11 21.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.0 Cg_endo -75.07 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -109.31 -11.58 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.9 tt0 -136.15 150.5 49.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -138.13 144.83 41.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.5 119.76 62.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 3.6 mp -123.53 119.88 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -100.57 113.78 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.554 HG23 HG22 ' A' ' 98' ' ' ILE . 71.8 p -130.74 154.11 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.539 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.83 133.5 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.798 HG23 ' HG3' ' A' ' 58' ' ' GLU . 4.1 m -114.64 118.67 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 97' ' ' VAL . 25.9 mm -107.51 107.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.833 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.4 mm? -97.61 124.85 42.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -96.49 103.39 15.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.631 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -125.63 179.19 5.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -98.15 169.74 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.05 102.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.49 36.13 24.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.4 -33.09 14.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.89 165.26 27.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.85 -47.27 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 125.34 -1.57 8.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 29' ' ' LEU . 14.1 p90 -140.84 176.71 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -128.44 172.65 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.01 157.97 16.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.8 150.65 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 174.92 49.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.509 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.75 179.92 43.16 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -77.42 -41.17 40.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.62 -23.63 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.0 mp -81.75 -171.02 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.53 -30.59 33.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -87.57 88.15 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -52.6 -43.71 65.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.87 121.11 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -63.83 147.17 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.3 p -133.6 171.85 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 61' ' ' ILE . 47.5 t -75.17 101.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 14.4 t-80 -57.25 -61.3 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -148.36 155.53 41.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 t -122.91 96.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.472 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.17 154.12 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.86 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -117.16 86.51 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.88 -167.16 19.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 21' ' ' LEU . 2.1 mt -92.73 -48.83 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.01 -37.82 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -34.77 65.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.85 -46.83 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.798 ' HG3' HG23 ' A' ' 19' ' ' THR . 1.4 mm-40 -66.05 -51.81 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.84 70.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.549 HG21 ' OG1' ' A' ' 19' ' ' THR . 3.9 m -68.11 -49.49 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 12.0 mt -86.32 94.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.6 mt-30 -111.05 123.93 51.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLN . 5.3 ttpp -40.16 111.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.37 -13.87 8.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -169.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -118.21 121.21 39.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.32 92.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.584 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.0 mt -66.6 -47.91 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.8 p -146.43 170.81 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.18 121.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.4 t30 68.38 9.2 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.39 8.27 50.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 120.57 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.43 151.15 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.4 mt -87.54 106.06 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 13.41 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.07 26.49 2.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.61 144.39 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -73.93 167.95 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.889 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.0 t60 -57.2 -26.11 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.405 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -87.53 -61.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.897 ' O ' HD12 ' A' ' 86' ' ' ILE . 76.7 m-20 -46.63 -25.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.05 -53.46 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.76 -54.76 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.5 -52.65 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -46.76 -39.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.21 -35.28 76.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 35.4 mtt180 -72.26 -11.72 60.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 29.4 mt-30 -93.26 -29.02 15.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.49 -7.68 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -6.66 33.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 39.2 mt-10 -66.58 -43.35 50.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.06 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.83 -8.57 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 29.5 tt0 -129.03 144.7 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -122.82 130.41 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -112.8 110.99 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.547 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -123.63 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 t -114.39 113.4 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.523 HG23 HG22 ' A' ' 98' ' ' ILE . 82.8 p -134.26 142.58 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.584 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.44 152.82 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.8 OUTLIER -128.18 119.79 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.673 HD12 ' NE2' ' A' ' 95' ' ' GLN . 19.3 mm -96.41 107.61 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -89.92 127.24 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -101.87 108.06 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -142.02 -174.58 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -106.7 172.28 6.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.353 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mt-10 -65.58 103.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.37 28.98 23.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.09 -33.04 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.73 164.42 32.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 2.3 mt -91.28 -46.12 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.24 -6.49 10.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p90 -133.47 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.401 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -122.1 177.61 5.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 70' ' ' ILE . 7.8 mt -104.6 160.34 15.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.32 151.94 40.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.9 178.54 51.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -177.99 -173.14 43.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -75.4 -44.87 42.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.56 -24.03 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.8 mp -74.88 175.35 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.81 -41.15 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 12.4 p30 -88.31 107.82 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.74 HG21 ' OE2' ' A' ' 66' ' ' GLU . 11.6 p -83.57 129.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -70.0 153.87 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.671 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -138.85 172.68 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 61' ' ' ILE . 39.3 t -78.47 98.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.924 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 15.3 t-160 -53.71 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -146.8 158.88 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 22.3 t -127.94 97.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -37.78 153.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.5 5.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -116.1 86.36 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.22 -163.79 13.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -96.33 -51.5 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 31' ' ' PHE . . . -46.9 -25.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 54' ' ' LEU . 1.6 t -88.49 -45.88 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.8 -44.21 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -2.81 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 19' ' ' THR . 6.2 m -79.39 -48.83 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 98' ' ' ILE . 9.4 mt -88.76 91.82 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 36.7 mt-30 -105.6 129.33 53.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -44.81 116.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -12.45 12.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 11.8 m120 -70.4 176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.74 ' OE2' HG21 ' A' ' 43' ' ' VAL . 13.9 tt0 -109.95 117.88 34.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.68 105.67 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 101' ' ' ARG . 5.5 mt -76.01 -50.91 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -153.12 168.0 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.916 HG22 ' OD1' ' A' ' 71' ' ' ASN . 20.7 mt -139.21 120.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.916 ' OD1' HG22 ' A' ' 70' ' ' ILE . 0.9 OUTLIER 73.14 6.54 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.39 2.32 53.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 106.47 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.24 147.46 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.9 mt -83.23 105.36 14.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 13.27 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.58 26.55 3.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.84 142.23 41.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -76.45 159.83 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.923 ' CD2' HD11 ' A' ' 84' ' ' LEU . 75.5 t60 -45.05 -45.97 11.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.523 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -67.56 -60.76 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.856 ' HB3' HG22 ' A' ' 78' ' ' THR . 29.3 m-20 -47.9 -25.35 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.42 -50.17 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.9 mt -51.97 -47.98 64.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.12 -56.8 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.45 -36.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.97 -33.09 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 54.7 mtp180 -72.54 -14.57 61.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 mt-30 -92.76 -28.31 16.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB1' HD21 ' A' ' 71' ' ' ASN . . . -72.23 -5.13 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -99.69 -3.67 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -75.7 -41.15 3.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.96 174.68 12.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -16.39 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.673 ' NE2' HD12 ' A' ' 20' ' ' ILE . 1.2 tm0? -129.04 148.51 51.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.2 132.14 39.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.05 122.7 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 61' ' ' ILE . 4.5 mp -128.86 120.47 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 HD12 ' A' ' 68' ' ' LEU . 14.0 t -99.18 113.91 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 98' ' ' ILE . 80.9 p -133.76 156.22 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.5 t60 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.47 143.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.889 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.1 m -123.75 110.53 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.666 HD13 ' CG2' ' A' ' 97' ' ' VAL . 16.6 mm -86.51 107.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -91.98 128.77 37.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -106.24 106.17 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.625 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.8 pttp -135.15 -174.6 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 3.0 mt-10 -102.44 171.29 7.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.08 102.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.59 42.47 21.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -97.22 -20.33 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.49 135.44 7.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 96' ' ' ALA . 80.9 mt -64.65 -47.85 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.8 -9.43 9.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HE1' HD13 ' A' ' 29' ' ' LEU . 8.0 p90 -136.22 169.73 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -122.71 172.45 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.702 HD13 HG21 ' A' ' 44' ' ' ILE . 4.9 mt -100.65 156.2 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.933 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.95 132.87 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 167.99 21.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.98 147.57 8.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -54.25 -34.84 61.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.0 -23.34 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -86.77 179.46 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.66 -30.14 69.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.5 p30 -93.72 134.97 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -100.33 -17.13 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 45' ' ' THR . 1.4 t -101.03 114.06 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -70.12 113.61 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -104.13 166.11 10.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.434 HG21 HG23 ' A' ' 61' ' ' ILE . 48.7 t -68.93 101.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.933 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 5.3 t-160 -52.94 -61.44 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.43 153.88 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -117.82 93.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -37.68 153.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.76 9.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -116.41 85.69 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.71 -170.2 27.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.7 mt -91.71 -52.08 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -44.79 -30.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -50.6 12.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.25 -49.04 77.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 19' ' ' THR . 1.9 tp10 -58.28 -41.43 84.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.82 -1.11 63.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.889 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -78.04 -48.86 15.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 17.2 mt -81.12 90.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 77.8 mt-30 -100.83 138.39 37.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -48.72 131.61 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.31 -16.15 60.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 45' ' ' THR . 2.4 m120 -59.64 156.64 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 2.3 tt0 -93.54 110.64 22.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.561 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -84.71 84.53 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 99' ' ' VAL . 1.8 mt -48.97 -52.98 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.42 170.22 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -133.93 105.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 82.82 -2.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -7.32 11.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 116.9 28.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 155.53 27.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD13 ' HB ' ' A' ' 44' ' ' ILE . 1.2 mt -91.23 102.62 15.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.38 14.43 8.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 119.12 27.62 2.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.817 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.13 144.86 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -72.32 -179.13 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.3 t60 -66.73 -35.64 80.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -81.12 -57.31 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.837 ' O ' HD12 ' A' ' 86' ' ' ILE . 81.2 m-20 -43.93 -29.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.99 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.691 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.74 -54.51 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.41 -55.22 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.863 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.62 -33.53 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ALA . 53.1 mtt180 -69.53 -14.17 62.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -91.18 -31.24 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.15 -7.61 50.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -97.94 -7.27 30.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.5 mm-40 -67.96 -43.81 38.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -167.95 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -104.46 -18.71 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 8.5 tt0 -126.72 149.86 49.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -140.48 140.49 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.666 ' CG2' HD13 ' A' ' 20' ' ' ILE . 2.1 t -116.89 115.53 49.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 4.2 mp -116.63 117.86 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.439 ' C ' HD12 ' A' ' 68' ' ' LEU . 3.1 t -95.49 117.45 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.51 ' CG2' HG22 ' A' ' 98' ' ' ILE . 9.2 p -141.75 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -84.22 150.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.492 HG22 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -130.49 128.57 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.739 ' CD1' HG22 ' A' ' 97' ' ' VAL . 11.6 mm -111.56 108.41 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -93.67 136.62 33.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.67 ' CE1' HG22 ' A' ' 20' ' ' ILE . 9.9 m80 -116.34 106.86 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -134.69 165.2 25.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.48 163.38 25.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.99 106.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.58 61.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -77.64 -33.04 53.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.45 161.98 36.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -83.77 -37.86 22.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 117.01 0.68 19.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 29' ' ' LEU . 13.0 p90 -145.72 170.85 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.03 172.87 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.912 HD11 HD12 ' A' ' 70' ' ' ILE . 4.4 mt -99.61 156.24 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -142.19 150.97 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.551 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 82.63 177.54 51.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.53 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -179.89 178.89 48.77 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -68.48 -44.0 75.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -72.79 -23.95 60.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.0 mp -76.85 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.21 -38.87 92.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 7.3 p30 -91.77 106.34 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -58.31 -45.85 87.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -82.02 136.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -79.53 140.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.858 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.4 p -125.74 169.1 12.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.37 101.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.2 t-160 -54.51 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -149.29 154.89 39.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 56' ' ' SER . 16.5 t -120.86 96.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.5 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.69 9.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -117.28 86.33 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.24 -174.54 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 23' ' ' LYS . 8.3 mt -89.94 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -47.26 -25.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.444 ' CB ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -88.52 -35.43 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -74.33 -41.85 60.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.01 -49.6 75.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.65 72.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.463 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -84.5 -48.04 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -90.55 91.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 35.5 mt-30 -105.75 132.21 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -42.17 134.4 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.66 -23.01 37.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 13.2 m120 -60.33 165.77 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.858 ' HA ' HG22 ' A' ' 45' ' ' THR . 5.3 tt0 -102.43 119.4 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -85.55 122.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.1 mt -89.15 -50.33 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -157.01 166.71 32.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.912 HD12 HD11 ' A' ' 33' ' ' LEU . 31.7 mt -145.79 123.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t-20 82.25 -2.4 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.94 6.87 42.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -103.85 110.65 22.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 153.36 40.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.2 mt -84.79 105.41 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 13.43 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.23 26.4 3.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.67 143.06 56.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.386 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.0 p -66.51 -167.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -75.39 -36.47 60.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' LEU . 7.6 t-80 -77.37 -66.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.798 ' CB ' HG22 ' A' ' 78' ' ' THR . 4.0 m-20 -40.66 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -85.38 -46.8 10.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -60.21 -44.33 95.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.64 -57.06 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -45.25 -43.58 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.791 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.53 -36.05 79.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.24 -26.84 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.2 mt-30 -84.02 -30.62 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.77 -8.29 55.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HA ' ' HZ1' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -97.39 -5.87 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 65.9 mt-10 -64.44 -42.87 69.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.98 174.03 13.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.87 -12.98 52.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.1 tt0 -133.42 149.0 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -137.5 151.18 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.5 t -120.91 126.09 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -134.58 127.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.4 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.9 t -103.71 115.06 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 98' ' ' ILE . 24.4 p -136.01 151.41 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.709 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 t60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.12 147.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.899 HG21 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -118.57 119.66 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.432 HG23 ' CD ' ' A' ' 95' ' ' GLN . 47.7 mm -117.89 108.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 19' ' ' THR . 3.7 mm? -112.2 130.46 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -101.17 100.64 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 pttp -115.4 -179.86 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.8 mt-10 -97.4 161.52 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 94' ' ' ARG . 2.6 mm-40 -43.45 120.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.35 35.25 43.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -78.25 -33.34 49.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.82 167.05 28.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 31' ' ' PHE . 12.4 mt -93.96 -47.45 6.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.24 -9.9 11.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -127.71 169.94 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -126.96 173.34 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.041 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 44' ' ' ILE . 6.1 mt -97.54 161.79 13.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.764 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -131.42 151.49 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' OD1' ' A' ' 41' ' ' ASN . . . 53.02 -163.68 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.16 -141.62 3.17 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -101.45 -53.11 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -80.02 -13.22 59.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 35' ' ' GLY . 8.9 mp -67.16 179.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.94 -34.61 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' OD1' ' HA3' ' A' ' 35' ' ' GLY . 2.3 p30 -109.97 171.53 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 9.9 tptp -113.9 -44.42 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.4 p -87.48 118.91 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.638 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.7 153.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -140.07 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 61' ' ' ILE . 34.8 t -75.97 96.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.7 t-160 -53.92 -57.37 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.66 159.08 43.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.21 97.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.8 m-30 -37.5 152.24 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.03 11.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.89 86.31 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.93 -169.47 24.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -91.96 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.03 -34.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -46.61 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -48.77 72.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 21' ' ' LEU . 2.4 tp10 -67.27 -57.21 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.2 5.58 58.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.742 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.7 m -74.59 -47.09 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.899 HD11 HG21 ' A' ' 19' ' ' THR . 11.3 mt -96.68 97.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.484 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 34.9 mt-30 -108.13 143.86 36.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -50.98 132.5 27.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.58 14.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 18.6 m120 -54.01 171.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 45' ' ' THR . 1.4 tt0 -107.7 127.27 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -100.27 114.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.7 mt -85.25 -47.45 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 p -147.84 166.62 27.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -144.33 121.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 79.36 -0.53 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.07 2.52 39.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -103.11 118.46 36.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.98 158.94 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.938 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.11 104.71 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 12.28 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.98 26.64 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.45 139.82 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 p -75.33 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.902 ' O ' HD22 ' A' ' 84' ' ' LEU . 42.2 t60 -63.38 -40.58 97.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.24 -59.13 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.878 ' HB3' HG22 ' A' ' 78' ' ' THR . 3.3 m-20 -49.67 -25.61 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.4 -53.6 5.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.902 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -50.09 -47.88 53.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.06 -58.24 9.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.82 -41.73 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -64.84 -34.57 78.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.9 ptt180 -70.25 -29.7 66.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.4 mt-30 -79.31 -30.76 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -71.29 -7.73 48.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.16 -9.7 32.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 73.5 mt-10 -61.44 -43.52 89.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.5 Cg_endo -74.93 175.23 11.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mpt_? -92.69 -11.66 33.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 7.6 tt0 -130.69 143.3 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' CB ' HD22 ' A' ' 29' ' ' LEU . . . -121.5 145.41 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ASN . 2.2 t -122.57 111.8 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.07 138.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.641 HG12 HD12 ' A' ' 68' ' ' LEU . 25.5 t -116.81 113.4 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 98' ' ' ILE . 73.4 p -131.23 157.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.701 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -178.89 163.11 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -151.85 113.48 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.95 -178.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -160.34 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.014 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.98 170.22 15.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.167 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.86 112.33 3.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.37 168.32 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.643 ' O ' HG22 ' A' ' 9' ' ' THR . 4.6 m -82.17 53.15 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -137.43 169.85 17.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.74 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.24 76.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.87 120.01 12.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.64 167.85 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.14 47.06 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 5.0 mm -112.12 134.59 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -133.26 111.43 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.9 142.93 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.803 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -121.93 112.43 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 97' ' ' VAL . 21.4 mm -93.97 107.7 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.87 129.24 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -108.36 103.88 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HG3' ' HZ2' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -132.66 -174.43 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.13 163.36 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.06 102.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.14 34.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . . . -97.78 -17.59 19.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 149.84 16.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' CD2' ' A' ' 87' ' ' LEU . 98.7 mt -76.63 -46.96 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 121.48 -11.96 9.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' HE1' HD13 ' A' ' 29' ' ' LEU . 11.4 p90 -131.48 169.09 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -123.55 164.83 18.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 70' ' ' ILE . 4.3 mt -93.69 156.3 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.892 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.84 151.18 42.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.534 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 85.56 176.34 50.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -176.21 -171.75 40.29 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -83.11 -45.3 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.52 -11.94 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.8 mp -88.46 -178.39 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.36 -26.01 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.4 p30 -100.36 96.73 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.498 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 2.1 tptp -56.71 -45.89 81.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 ' OE2' ' A' ' 66' ' ' GLU . 8.7 p -81.39 126.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -72.72 136.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.624 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.0 p -121.96 173.09 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG21 HG23 ' A' ' 61' ' ' ILE . 45.7 t -75.57 102.75 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.892 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 12.6 t-80 -54.9 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.96 157.06 42.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' PHE . 11.8 t -124.11 95.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.5 m-30 -37.34 154.18 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.24 6.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -116.96 86.4 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.15 -174.96 26.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.19 -46.2 9.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.41 -53.84 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -60.49 -46.6 89.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.11 -53.28 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.97 -56.16 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 62' ' ' GLN . . . 97.21 7.21 57.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -86.14 -47.39 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 98' ' ' ILE . 21.3 mt -88.97 91.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' LYS . 64.2 mt-30 -106.91 133.31 51.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -37.38 132.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.05 -25.78 26.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.15 165.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.642 ' OE2' HG21 ' A' ' 43' ' ' VAL . 5.7 tt0 -102.89 121.76 43.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 70' ' ' ILE . 61.0 t -94.37 99.8 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 101' ' ' ARG . 2.5 mt -74.03 -46.74 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -154.49 164.16 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 33' ' ' LEU . 29.3 mt -142.54 115.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t-20 81.16 11.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.81 2.48 64.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 110.99 22.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -78.24 148.31 34.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.7 mt -82.5 104.11 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 12.72 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.01 26.78 2.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.771 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.93 144.37 49.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.382 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.7 p -69.74 -166.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.829 ' CD2' HD11 ' A' ' 84' ' ' LEU . 70.4 t60 -75.08 -45.09 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.586 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.2 t-160 -70.23 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.771 ' HB3' HG22 ' A' ' 78' ' ' THR . 9.1 m-20 -38.83 -30.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . -80.23 -54.23 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.6 mt -49.84 -48.34 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.81 -57.33 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.8 -35.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.77 -35.36 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.3 mtp180 -72.37 -14.04 61.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.74 -29.34 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.47 56.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.69 -8.67 28.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.9 mm-40 -63.36 -43.12 78.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -179.4 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -21.64 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 13.6 tt0 -122.63 151.56 41.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -138.9 142.46 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 20' ' ' ILE . 2.2 t -118.65 117.91 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -126.3 126.0 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 68' ' ' LEU . 14.5 t -102.86 113.72 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 66' ' ' GLU . 22.3 p -134.32 157.68 45.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.6 mtp180 -106.08 158.75 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.93 102.36 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.25 162.52 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.6 p -108.21 159.75 29.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -147.25 134.8 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 47.63 79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.2 ptt? -46.74 127.41 8.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 170.86 19.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -97.41 100.02 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.17 57.62 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 t30 171.18 157.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -173.17 150.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 p -42.37 106.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -141.64 -168.05 11.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.26 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.9 p -121.3 170.52 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.07 163.26 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -93.75 170.24 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -131.08 -58.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.94 121.68 4.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -93.84 122.48 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -176.12 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.13 57.3 3.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.19 108.13 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 9' ' ' THR . 54.9 m 46.21 52.42 10.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -153.79 172.22 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.52 124.63 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -177.41 160.01 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp -158.45 154.17 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -42.21 -43.73 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.52 36.67 91.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 3.1 mm -112.04 154.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.96 116.74 10.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.96 151.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 61' ' ' ILE . 1.1 m -131.45 102.4 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -96.28 107.61 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -93.01 127.06 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -99.14 104.3 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -141.3 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.07 172.35 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.3 mt-10 -57.14 103.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.89 42.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.6 -33.3 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.32 163.91 25.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 31' ' ' PHE . 2.1 mt -98.72 -47.13 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.39 -6.48 9.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' HD1' ' HB2' ' A' ' 55' ' ' ALA . 17.1 p90 -132.59 168.66 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.411 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -124.47 171.43 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 44' ' ' ILE . 3.5 mt -94.96 159.03 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -136.69 151.66 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -178.12 23.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -168.15 -159.03 12.93 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -90.82 -42.98 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.24 -15.96 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 39' ' ' LEU . 2.2 mp -84.97 -174.9 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.77 -31.34 46.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-20 -88.71 82.66 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 9.4 tptt -52.36 -27.18 14.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' OE2' ' A' ' 66' ' ' GLU . 4.5 p -101.89 118.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -64.12 142.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.26 172.33 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.4 t -75.57 99.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.812 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.5 t-160 -55.91 -61.47 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 162.29 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' PHE . 13.2 t -130.6 95.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.3 m-30 -36.84 153.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.98 86.19 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.29 -172.08 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 23' ' ' LYS . 2.2 mt -93.5 -44.01 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -41.34 -34.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -43.43 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -41.48 -52.1 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -60.03 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 3.8 57.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -88.38 -45.35 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.633 HD11 HG21 ' A' ' 19' ' ' THR . 5.4 mt -83.6 96.16 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 42.6 mt-30 -112.66 136.82 51.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -49.52 115.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -14.96 9.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 27.2 m120 -71.82 170.02 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.672 ' HA ' HG22 ' A' ' 45' ' ' THR . 20.1 tt0 -103.63 118.68 37.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 70' ' ' ILE . 85.8 t -90.24 102.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.617 HD11 ' HD2' ' A' ' 101' ' ' ARG . 4.3 mt -70.02 -51.11 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -150.26 166.85 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 33' ' ' LEU . 24.9 mt -142.08 119.74 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 74.19 9.66 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.81 2.68 58.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.87 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.62 146.97 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.5 mt -83.63 97.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.65 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 27.21 2.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.54 144.26 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -74.03 152.5 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.909 ' CD2' HD11 ' A' ' 84' ' ' LEU . 78.0 t60 -40.06 -47.04 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.613 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.843 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -68.67 -61.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 53.2 m-20 -43.3 -27.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.43 -51.72 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.909 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.2 mt -48.55 -48.78 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.02 -55.88 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.18 -36.55 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.42 -36.54 71.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.533 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -75.17 -9.71 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.3 mt-30 -97.25 -30.07 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.69 -8.14 52.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -12.28 23.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.9 mm-40 -59.19 -43.29 96.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 178.31 7.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -92.47 5.19 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.2 tt0 -145.76 154.12 41.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.04 140.04 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 114.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 100' ' ' THR . 4.4 mp -124.77 117.58 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.585 HG12 HD12 ' A' ' 68' ' ' LEU . 21.7 t -97.66 113.9 33.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 98' ' ' ILE . 27.6 p -135.48 151.37 50.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -97.42 158.22 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -75.72 106.71 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mt -115.96 141.6 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.2 p -73.13 157.38 88.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.87 61.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.78 162.32 26.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -78.76 157.76 76.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 127.73 10.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.18 110.39 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.4 mt -55.13 174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.78 141.12 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.74 144.76 39.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.7 p -124.88 168.92 12.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.27 105.08 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.94 28.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.27 160.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.13 163.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.37 92.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -170.61 165.58 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.67 132.47 3.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -138.36 131.77 30.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 p -172.74 131.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.13 171.39 23.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.37 84.47 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -93.6 127.8 39.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.22 94.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -112.45 -34.67 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 172.66 166.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.95 112.84 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 61.44 21.67 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.44 35.43 91.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.802 HD13 ' HB3' ' A' ' 101' ' ' ARG . 16.3 mm -92.59 131.48 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -138.91 123.43 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 97' ' ' VAL . 2.5 p -101.8 152.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -120.16 130.73 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 97' ' ' VAL . 20.2 mm -95.41 108.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -91.61 129.55 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -109.07 107.5 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -137.0 170.0 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -83.23 169.89 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 34.28 59.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -80.38 -32.71 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 163.22 29.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD2' ' HE3' ' A' ' 23' ' ' LYS . 4.2 mt -92.89 -41.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.74 -9.66 12.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 9.7 p90 -132.33 169.28 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -124.26 170.52 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.972 HD11 HD12 ' A' ' 70' ' ' ILE . 3.2 mt -95.88 156.79 16.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.875 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.27 151.04 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.91 179.32 52.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 175.92 173.99 42.08 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.02 -44.89 75.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -73.6 -23.51 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.0 mp -79.6 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.54 -31.73 42.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -93.94 101.85 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -59.11 -44.87 92.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG21 ' CD ' ' A' ' 66' ' ' GLU . 7.1 p -89.05 119.37 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -62.52 139.76 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -129.65 171.0 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.3 t -73.43 101.03 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.875 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 7.7 t-160 -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.41 151.66 30.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 56' ' ' SER . 12.5 t -115.54 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -38.67 154.19 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.73 8.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -116.67 86.41 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.15 -170.67 25.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -94.98 -49.05 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.21 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' HB2' HG12 ' A' ' 49' ' ' VAL . 1.3 t -76.48 -39.27 53.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -65.4 -44.87 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 23.1 mm-40 -58.29 -47.34 83.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.6 -0.9 87.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -81.66 -48.07 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.637 HD11 HD13 ' A' ' 98' ' ' ILE . 12.0 mt -90.59 91.45 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.3 mt-30 -106.77 128.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 130.59 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.96 -18.22 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 12.9 m120 -65.81 176.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.5 tt0 -111.21 124.79 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.6 t -93.88 120.04 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.1 mt -88.41 -49.41 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -158.67 160.49 36.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.972 HD12 HD11 ' A' ' 33' ' ' LEU . 40.0 mt -133.83 118.09 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.51 12.13 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -6.58 52.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.89 107.29 6.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -82.15 140.73 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.1 mt -84.85 91.12 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 14.59 9.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.6 26.97 2.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.886 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -68.07 149.05 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.374 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.3 p -77.93 166.54 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t-160 -52.65 -39.45 61.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -70.79 -58.77 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.886 ' CB ' HG22 ' A' ' 78' ' ' THR . 33.7 m-20 -56.0 -21.83 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -97.58 -25.58 15.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.9 -49.84 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.09 -52.39 65.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.94 -37.26 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.794 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.82 -36.26 80.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.626 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.7 mtp180 -70.84 -11.82 61.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 18.8 mt-30 -97.87 -31.0 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.76 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.82 -9.34 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.8 mm-40 -58.54 -43.14 97.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.03 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 2.0 mtt180 -107.39 -6.63 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 18.7 tt0 -135.1 157.09 47.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.24 144.83 31.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 18' ' ' VAL . 2.2 t -118.77 117.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.637 HD13 HD11 ' A' ' 61' ' ' ILE . 2.9 mp -125.25 112.51 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG12 ' CG2' ' A' ' 16' ' ' ILE . 5.1 t -93.21 117.69 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.2 p -138.28 154.57 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.802 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -116.96 157.2 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -80.24 112.16 17.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' A' ' 66' ' ' GLU . 14.3 mt -89.57 -179.81 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -37.57 153.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -108.29 -29.55 8.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 61.68 111.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.4 ptp -160.28 151.03 15.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.11 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.98 117.27 23.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.611 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -75.29 -176.72 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.82 162.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.46 -53.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.2 m 61.79 121.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 77.24 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.66 5.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.7 t -154.82 159.4 40.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -123.45 153.08 40.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.73 165.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -137.88 170.39 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.05 -153.38 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -153.11 169.04 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.4 158.13 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.97 -83.64 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.77 173.39 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -128.33 116.85 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.14 112.32 9.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.86 123.21 38.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.86 145.36 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 177.68 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.83 88.67 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.67 55.35 14.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.15 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.674 HD13 ' HB3' ' A' ' 101' ' ' ARG . 7.5 mm -118.68 121.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -126.53 125.78 42.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.12 150.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.654 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -133.01 109.19 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.655 HD13 HG22 ' A' ' 97' ' ' VAL . 16.5 mm -88.22 109.23 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.27 123.25 36.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -101.0 105.48 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.33 170.44 16.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -86.67 168.46 13.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.5 102.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.04 36.29 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -79.62 -33.31 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.46 166.12 35.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 5.5 mt -93.49 -45.69 7.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.763 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 120.52 -6.66 11.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.5 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 23.2 p90 -131.39 167.03 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.434 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.9 t -118.95 168.53 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 70' ' ' ILE . 4.2 mt -97.9 159.09 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.936 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -146.46 145.69 30.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' HD23 ' A' ' 39' ' ' LEU . . . 88.91 -175.57 43.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.672 ' N ' HD23 ' A' ' 39' ' ' LEU . . . 159.36 -179.82 34.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.86 -23.02 33.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 39' ' ' LEU . 5.9 t70 -72.29 -21.14 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.715 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -104.89 -148.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -97.86 -32.9 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -81.86 91.73 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.56 -44.82 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.686 HG21 ' OE2' ' A' ' 66' ' ' GLU . 15.0 p -83.79 132.69 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.574 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.9 mp -79.03 141.95 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -127.37 171.65 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG21 HG23 ' A' ' 61' ' ' ILE . 34.0 t -77.17 100.96 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.936 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.0 t-80 -55.11 -61.08 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.561 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 157.47 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' HB2' ' A' ' 56' ' ' SER . 18.2 t -125.58 95.84 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.8 m-30 -37.67 154.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.41 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -115.32 86.58 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.49 -170.21 21.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -95.35 -45.82 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -50.64 -44.32 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.709 ' HB2' HG12 ' A' ' 49' ' ' VAL . 23.2 t -69.68 -44.41 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -48.21 68.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HG2' HG23 ' A' ' 19' ' ' THR . 6.7 tp10 -58.36 -40.09 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.86 89.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.654 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -86.1 -46.97 9.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -90.44 96.92 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -110.64 131.25 55.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -38.3 133.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.53 -14.16 64.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -65.34 171.81 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.792 ' O ' HG22 ' A' ' 100' ' ' THR . 2.5 tp10 -102.77 132.58 48.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 70' ' ' ILE . 67.4 t -105.34 89.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 99' ' ' VAL . 1.9 mt -61.51 -49.71 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 p -150.39 168.74 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 33' ' ' LEU . 1.8 mt -144.93 118.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER 81.98 1.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.32 49.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -107.0 116.32 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 155.36 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.5 mt -89.52 111.14 21.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 12.19 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.42 26.29 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.823 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -50.74 144.92 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 5.0 p -72.73 172.73 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HD21 ' A' ' 39' ' ' LEU . 36.1 t60 -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 t-160 -71.51 -60.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.542 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.823 ' HB3' HG22 ' A' ' 78' ' ' THR . 85.4 m-20 -41.27 -29.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.33 -61.04 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 81' ' ' HIS . 4.0 mt -42.84 -43.36 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.93 -55.15 37.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -45.29 -50.59 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -56.7 -32.84 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -73.88 -27.49 61.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 4.9 mt-30 -85.11 -27.78 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.5 -7.77 55.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 -5.25 34.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 43.9 mt-10 -71.22 -43.26 12.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.05 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.56 -8.57 26.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.67 146.22 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.08 134.93 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 HD13 ' A' ' 20' ' ' ILE . 2.1 t -115.44 116.64 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 61' ' ' ILE . 3.0 mp -124.95 122.77 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.545 HG12 ' CG2' ' A' ' 16' ' ' ILE . 3.0 t -100.28 113.65 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 66' ' ' GLU . 42.8 p -137.18 165.86 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.674 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -128.8 154.5 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -68.81 112.21 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 66' ' ' GLU . 12.2 mt -111.21 136.96 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.2 p -44.7 159.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.93 10.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -108.79 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.99 172.6 12.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 ttt -132.47 123.18 18.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -158.42 126.93 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.67 -178.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.45 165.41 25.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.1 m -99.96 169.91 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.45 -61.64 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.39 174.66 13.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.12 147.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t 65.08 162.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.042 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.956 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 178.62 170.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 176.32 160.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.91 143.35 4.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.47 130.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 110.031 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.75 166.24 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.22 130.6 1.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.0 141.79 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 m -161.06 81.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -87.73 136.6 32.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -150.16 -172.1 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' C ' HD12 ' A' ' 13' ' ' LEU . 2.0 mt-30 -106.6 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.923 ' N ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 176.25 173.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 75.24 -70.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.83 20.3 29.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.623 ' CG2' HG12 ' A' ' 99' ' ' VAL . 17.4 mm -86.79 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -129.32 121.26 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.84 140.78 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' HG2' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -129.88 126.75 38.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 97' ' ' VAL . 34.7 mm -102.48 108.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -88.83 126.79 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.04 105.22 15.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HE3' ' HB2' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -138.59 175.37 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.7 166.39 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.1 mt-10 -56.9 103.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.01 27.89 30.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -83.69 -32.82 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.38 162.91 38.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 1.8 mt -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 117.6 -3.66 17.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 22.7 p90 -137.25 167.98 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.44 177.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.797 HD11 HD12 ' A' ' 70' ' ' ILE . 5.1 mt -100.78 157.6 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.69 149.83 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 80.8 177.4 51.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.655 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -172.99 -165.75 30.44 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.65 -41.66 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.8 -18.63 61.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 39' ' ' LEU . 5.1 mp -82.25 -176.3 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.56 -35.24 34.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -88.4 87.45 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 6.6 tppt? -53.1 -30.76 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 p -93.82 113.78 29.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.655 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.8 mp -60.94 140.96 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.9 p -126.94 176.32 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CG2' ' A' ' 61' ' ' ILE . 58.4 t -77.94 103.79 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.6 t-160 -57.93 -61.15 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.73 155.77 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -123.49 97.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -39.82 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.84 7.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -116.61 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.36 -172.9 26.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -90.74 -46.29 8.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -46.57 -34.37 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 -42.16 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.68 -47.71 81.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HG2' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -63.9 -42.05 97.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.44 13.39 83.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -90.05 -48.75 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 10.7 mt -90.54 98.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -115.12 131.4 56.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.42 120.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.42 -22.14 11.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 167.98 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.663 ' HA ' HG22 ' A' ' 45' ' ' THR . 9.2 tt0 -104.92 114.17 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.62 105.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.65 -48.43 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -155.17 165.25 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 33' ' ' LEU . 39.6 mt -142.34 123.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.2 t-20 77.27 1.33 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.15 49.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -100.43 113.62 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.09 149.53 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.63 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.3 mt -83.07 104.39 13.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 13.41 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.85 26.31 3.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.37 146.41 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.398 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 1.2 p -74.17 157.46 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.948 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.0 t60 -43.97 -49.23 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.633 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.796 ' HA ' HD12 ' A' ' 84' ' ' LEU . 20.5 t-160 -67.31 -61.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.831 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.2 m-20 -43.37 -28.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -51.3 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.8 mt -51.51 -47.75 63.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.93 -55.02 33.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.64 -35.04 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.731 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.52 -36.12 68.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.6 mtt180 -73.63 -10.09 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.78 -26.64 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.41 -7.39 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -8.21 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 56.4 mt-10 -64.84 -43.63 69.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 176.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -91.64 -2.77 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.84 146.1 51.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.654 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.45 134.57 35.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.91 121.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -129.41 117.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG12 ' CG2' ' A' ' 16' ' ' ILE . 3.1 t -97.11 114.94 35.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -138.6 159.91 40.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -123.44 158.37 31.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -78.96 114.96 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 66' ' ' GLU . 5.2 mt -104.64 -162.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 p -59.88 160.3 16.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -126.3 173.3 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.34 -59.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.9 ttt 43.32 92.76 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.19 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.17 93.11 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 mp -47.78 -63.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.16 164.99 15.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.7 80.11 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 m -92.26 168.73 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.71 157.47 27.27 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.87 30.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.56 1.821 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.4 m -175.39 167.13 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -176.21 165.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 140.63 23.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.36 98.67 9.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.08 -174.8 47.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -151.13 -177.76 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.978 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -46.15 118.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.94 -158.42 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.85 149.2 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.2 m -53.53 122.62 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.04 100.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -48.89 156.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -112.03 98.55 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.36 -166.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.68 88.27 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 101' ' ' ARG . . . 51.61 54.79 23.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.715 HD13 ' HB3' ' A' ' 101' ' ' ARG . 6.2 mm -122.45 122.07 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -127.22 124.32 38.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -79.87 145.83 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.86 120.37 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 97' ' ' VAL . 26.5 mm -98.62 107.73 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -95.69 122.14 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -99.96 110.78 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.635 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -139.66 -175.96 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.9 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.45 169.41 11.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 4.9 mt-10 -69.25 100.74 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.74 4.13 59.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.9 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.86 -33.3 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.85 164.58 37.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' PHE . 2.4 mt -87.84 -39.37 14.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.38 -2.69 16.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 29' ' ' LEU . 19.7 p90 -138.3 168.03 20.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -121.74 176.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -100.87 157.79 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.58 151.54 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 84.49 175.89 50.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.68 -177.28 41.24 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -79.59 -48.2 14.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -72.73 -7.44 50.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -91.7 -167.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.97 -22.39 25.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.63 86.92 3.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HE3' ' HB1' ' A' ' 37' ' ' ALA . 9.6 tptm -52.35 -33.85 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.62 116.15 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -59.84 145.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.68 170.96 14.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 61' ' ' ILE . 41.1 t -72.59 101.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.878 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 13.3 t-160 -53.96 -60.98 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -151.09 157.81 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.93 99.78 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.8 m-30 -41.01 153.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.68 9.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -116.86 85.87 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.39 -178.0 33.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -86.21 -47.04 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' N ' HD21 ' A' ' 21' ' ' LEU . . . -48.41 -28.63 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -38.13 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.16 -45.77 90.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.05 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 9.22 82.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 -48.59 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.437 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 98' ' ' ILE . 11.8 mt -88.63 92.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -107.99 133.96 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -38.0 132.76 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -25.29 28.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.17 174.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.762 ' O ' HG22 ' A' ' 100' ' ' THR . 0.6 OUTLIER -106.17 122.59 46.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' LEU . 42.4 t -97.82 89.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 16' ' ' ILE . 2.9 mt -62.46 -48.77 78.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.0 p -147.98 168.02 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -137.63 113.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 2.5 t30 76.88 9.47 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.73 -0.92 52.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -93.96 118.66 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.95 150.58 28.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.0 mt -84.61 106.27 16.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 13.16 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.84 26.41 3.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.852 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -58.83 142.43 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.444 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 p -72.12 -167.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.879 ' O ' HD22 ' A' ' 84' ' ' LEU . 36.0 t60 -72.33 -42.24 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.8 t-160 -75.83 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' ILE . 89.1 m-20 -42.88 -29.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.44 -56.18 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -45.1 -50.96 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.78 -53.49 57.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.42 -39.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.696 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.01 -34.56 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.4 mtt-85 -69.07 -17.53 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -87.57 -27.61 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.52 -6.53 57.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 -5.38 38.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 25.9 mt-10 -75.05 -44.59 4.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.03 175.56 11.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 3.9 mtp180 -91.91 -4.46 54.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 9.3 tt0 -135.68 148.61 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -141.88 125.75 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -100.71 116.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.781 HD13 HD11 ' A' ' 61' ' ' ILE . 1.5 mp -121.2 121.3 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.534 HG12 ' CG2' ' A' ' 16' ' ' ILE . 6.0 t -100.8 113.71 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 66' ' ' GLU . 41.3 p -136.38 176.37 8.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.715 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -139.2 150.82 46.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -66.15 110.59 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 66' ' ' GLU . 41.9 mt -102.71 141.44 35.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 103' ' ' LEU . 59.5 p 52.65 162.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 179.66 5.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.96 73.31 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.67 87.14 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtp -118.46 82.49 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.13 116.4 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -72.82 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 27.2 t30 40.21 79.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 164.69 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 m -138.37 97.18 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.7 157.51 28.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.72 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.6 p -130.81 164.73 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.0 p -131.66 161.58 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -170.75 164.44 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.4 167.16 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.18 143.48 3.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -177.85 170.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t 65.09 150.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.04 -113.78 1.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.71 171.82 7.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -105.79 120.19 41.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.36 171.19 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 mttm 66.32 120.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -85.32 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.43 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.11 145.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.784 ' C ' HD13 ' A' ' 16' ' ' ILE . . . -103.62 48.07 1.05 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.812 HD12 ' HG3' ' A' ' 101' ' ' ARG . 2.4 mm -117.84 145.0 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -137.57 119.83 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 p -76.38 141.49 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.84 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -123.25 112.31 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.655 ' CD1' HG22 ' A' ' 97' ' ' VAL . 38.6 mm -95.18 121.76 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' CD2' HG22 ' A' ' 19' ' ' THR . 1.8 mm? -109.55 128.06 54.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -142.3 172.28 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.3 167.8 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.03 102.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.91 28.98 27.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.04 -33.47 21.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.54 163.6 34.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -88.79 -46.94 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.01 -2.63 9.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 29' ' ' LEU . 18.1 p90 -137.8 168.99 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.3 176.07 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HD12 ' A' ' 70' ' ' ILE . 4.9 mt -102.03 157.45 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.871 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.94 151.46 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.19 174.6 45.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.549 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -170.03 -168.47 31.95 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.71 -46.19 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.49 -13.36 61.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.2 mp -83.57 -174.37 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.01 -34.45 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 9.1 p30 -94.84 95.88 8.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.487 ' NZ ' ' HB1' ' A' ' 37' ' ' ALA . 11.3 tptt -53.37 -45.12 69.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.2 p -82.05 124.25 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -67.87 145.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 66' ' ' GLU . 3.2 p -128.74 175.96 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 61' ' ' ILE . 57.5 t -79.54 106.3 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.871 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -62.18 -61.5 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.62 151.66 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -120.3 95.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.9 m-30 -37.58 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.34 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.59 86.36 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.96 -175.1 30.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -89.69 -51.28 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.45 -27.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -82.36 -50.77 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -53.92 -45.19 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.09 -62.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.19 1.38 44.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.84 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.4 m -78.16 -45.62 22.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 98' ' ' ILE . 3.6 mt -95.23 97.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 57.8 mt-30 -115.43 127.71 55.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -43.07 110.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.93 -10.04 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' ' 103' ' ' LEU . 29.2 m120 -79.03 -175.1 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.675 ' OE2' HG21 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -114.99 131.22 56.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.236 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.42 112.92 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.8 mt -84.79 -47.54 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -152.66 166.11 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.617 HD12 HD11 ' A' ' 33' ' ' LEU . 6.5 mt -141.4 117.9 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 80.06 0.22 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.28 1.61 38.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 114.23 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.44 149.24 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.8 mt -83.0 107.61 15.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 12.17 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.682 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.907 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.78 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.373 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -72.49 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CD2' HD11 ' A' ' 84' ' ' LEU . 85.2 t60 -52.72 -40.67 63.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -71.69 -67.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.553 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.907 ' CB ' HG22 ' A' ' 78' ' ' THR . 80.5 m-20 -38.77 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -76.24 -55.57 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 80' ' ' HIS . 5.0 mt -46.35 -48.05 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.55 -57.37 12.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -38.56 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.907 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.2 -34.72 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.4 mtp180 -71.14 -18.01 62.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -86.96 -24.82 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -80.99 -6.9 59.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -100.09 -4.91 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.68 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.79 -39.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.17 -13.51 13.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.3 146.44 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.8 132.64 40.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -110.51 118.48 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.709 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.14 121.14 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 68' ' ' LEU . 17.0 t -103.02 114.66 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.535 HG23 HG22 ' A' ' 98' ' ' ILE . 68.1 p -135.82 159.24 42.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.812 ' HG3' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -96.91 160.4 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.89 104.5 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 65' ' ' ASN . 3.5 mt -114.38 139.96 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -96.94 156.39 36.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.89 159.27 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -110.55 98.83 38.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.06 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.36 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.11 -72.36 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.68 166.75 11.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.3 t -90.06 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.3 158.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.24 64.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.22 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.6 p -150.76 170.47 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.9 p -50.74 162.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.91 105.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 155.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.66 148.79 7.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -178.12 159.08 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -151.3 156.48 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.22 -165.05 31.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.96 127.45 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.744 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 m 63.13 122.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 10' ' ' LEU . 4.4 pp -123.34 112.82 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.52 -71.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -139.29 -47.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.98 92.53 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t70 175.55 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.96 79.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 2.5 mm -112.91 122.54 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -118.93 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -73.74 149.23 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.853 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -133.43 102.73 5.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.486 HD13 HG22 ' A' ' 97' ' ' VAL . 18.7 mm -85.02 109.64 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -96.32 125.46 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -105.6 110.66 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.637 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.47 177.58 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -97.45 169.79 9.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 6.8 mm-40 -50.82 122.12 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 53.66 31.97 46.12 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -33.37 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.46 162.9 32.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 96' ' ' ALA . 1.9 mt -87.64 -47.46 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.561 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.3 -4.95 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 16.1 p90 -135.07 168.97 18.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.8 t -122.99 172.2 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 44' ' ' ILE . 2.3 mt -97.58 158.44 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -138.12 151.76 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.42 -166.95 14.22 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -160.09 -144.19 3.89 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.52 -41.06 6.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -93.04 -4.12 53.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.03 167.94 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -37.75 -36.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 43' ' ' VAL . 30.2 p-10 -106.35 150.11 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' NZ ' ' HA2' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -97.03 -29.4 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -102.58 124.16 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.64 121.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 21.5 p -101.85 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 HG23 ' A' ' 61' ' ' ILE . 33.8 t -79.86 101.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.696 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 17.2 t-160 -52.76 -61.06 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.51 158.27 43.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' PHE . 16.8 t -126.0 95.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -36.51 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.46 10.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -117.22 85.78 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.32 -168.72 22.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -94.81 -45.75 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.54 18.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -80.87 -42.08 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.41 -42.08 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 24.3 mm-40 -66.52 -46.2 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.86 -5.26 76.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.853 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.1 m -71.05 -48.33 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 98' ' ' ILE . 31.4 mt -86.86 90.86 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 47.0 mt-30 -98.26 139.79 33.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.21 128.7 25.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.01 14.95 53.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 45' ' ' THR . 1.4 m120 -86.2 176.68 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.52 94.8 5.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.759 HG11 HD11 ' A' ' 70' ' ' ILE . 30.0 t -72.31 108.96 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 99' ' ' VAL . 5.8 mt -76.53 -52.71 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 p -147.95 156.28 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.759 HD11 HG11 ' A' ' 67' ' ' VAL . 8.5 mt -134.28 128.56 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t-20 64.82 13.02 8.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 -1.44 61.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -86.78 117.49 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -86.33 145.65 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 67' ' ' VAL . 4.3 mt -84.0 97.15 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 14.27 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA2' ' NZ ' ' A' ' 42' ' ' LYS . . . 118.71 26.21 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.819 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.68 138.46 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 44.3 p -72.43 -167.41 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.894 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.4 t60 -71.86 -35.26 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.7 t-160 -77.78 -69.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.819 ' HB3' HG22 ' A' ' 78' ' ' THR . 31.6 m-20 -39.51 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -77.9 -54.81 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.2 -53.34 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -54.52 -54.73 37.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -46.02 -38.72 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.783 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.68 -36.59 76.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.9 mtt85 -71.51 -11.26 60.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 71' ' ' ASN . . . -76.28 -7.58 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -98.33 -4.77 34.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 32.7 mt-10 -71.95 -43.63 10.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -108.62 -15.58 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.2 tt0 -124.08 148.73 46.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.529 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -128.93 137.56 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 20' ' ' ILE . 2.0 t -117.77 111.75 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.69 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -122.92 123.63 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.675 HG12 HD12 ' A' ' 68' ' ' LEU . 24.4 t -103.63 113.62 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 98' ' ' ILE . 79.0 p -133.52 158.61 42.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -133.56 161.21 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -74.69 110.19 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -68.21 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.3 p -129.05 156.67 77.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -167.1 155.85 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.67 -51.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.2 ttt 54.81 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.37 29.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -127.85 111.39 13.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 52.2 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.47 166.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -150.64 128.04 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.68 158.51 39.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.47 158.02 30.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p 178.47 146.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t -172.39 167.94 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -163.91 138.34 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 0.798 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -144.24 164.32 31.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.58 87.39 1.75 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.89 153.01 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.93 115.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -167.46 -166.1 25.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 82.43 -61.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 m 64.1 148.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -173.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -89.68 62.74 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.08 115.98 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -173.16 124.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER 64.92 14.6 9.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.26 33.4 87.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.722 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.3 mm -98.52 129.28 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -123.63 128.94 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.546 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.88 151.69 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.692 HG22 HD21 ' A' ' 21' ' ' LEU . 11.9 m -126.35 116.43 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 97' ' ' VAL . 14.4 mm -115.58 107.65 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 58' ' ' GLU . 2.9 mm? -104.36 131.81 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -95.92 113.25 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.599 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.85 173.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -96.09 168.22 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.93 102.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.68 30.22 24.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.48 -32.85 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.54 164.48 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.2 -47.32 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 120.65 1.87 11.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.7 p90 -143.54 170.51 15.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 167.41 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 70' ' ' ILE . 5.5 mt -92.55 162.14 14.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.939 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -149.4 132.44 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' CA ' HD22 ' A' ' 39' ' ' LEU . . . 106.36 175.36 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . 168.98 160.25 16.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -56.55 -37.6 70.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.4 -23.69 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD22 ' CA ' ' A' ' 35' ' ' GLY . 6.9 mp -82.28 176.89 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.27 -37.57 83.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.6 m-20 -89.61 156.3 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -20.8 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 66' ' ' GLU . 1.5 t -97.31 113.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.626 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -66.18 115.65 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.4 p -104.2 164.59 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.541 HG21 HG23 ' A' ' 61' ' ' ILE . 40.9 t -71.11 103.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.939 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -52.82 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 155.89 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 61' ' ' ILE . 12.1 t -121.49 96.28 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' GLY . 5.9 m-30 -36.32 151.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.28 12.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -116.95 85.2 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -164.73 18.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -93.2 -57.3 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.18 -27.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -40.47 55.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.1 mt-30 -66.93 -55.47 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.78 ' OE1' HD11 ' A' ' 21' ' ' LEU . 17.4 pt-20 -58.26 -40.79 82.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . 74.69 0.86 60.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 m -68.96 -44.17 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.541 HG23 HG21 ' A' ' 46' ' ' VAL . 42.3 mt -92.09 90.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 67.0 mt-30 -97.76 143.39 28.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -51.99 128.5 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.58 13.98 48.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 5.8 m120 -94.04 129.3 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' HG13 ' A' ' 43' ' ' VAL . 16.2 tt0 -64.79 108.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.577 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -81.03 86.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 16' ' ' ILE . 19.6 mt -43.71 -62.03 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.4 p -151.0 175.01 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.898 HG22 ' OD1' ' A' ' 71' ' ' ASN . 13.8 mt -144.78 120.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.898 ' OD1' HG22 ' A' ' 70' ' ' ILE . 9.9 m120 73.5 4.51 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.72 5.59 47.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -91.17 106.48 18.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -75.48 138.93 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.0 mt -76.53 95.5 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 13.45 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.07 26.66 2.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.61 141.72 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -79.11 154.07 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.995 ' CD2' HD11 ' A' ' 84' ' ' LEU . 58.3 t60 -40.25 -43.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.3 t-160 -67.35 -59.35 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 4.8 m-20 -50.26 -24.93 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.15 -53.91 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.995 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.1 mt -45.58 -48.51 14.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.61 -56.32 23.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.11 -35.43 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.683 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.19 -34.69 71.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mtp85 -71.28 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.412 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 8.5 mt-30 -91.91 -26.57 18.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.3 -7.29 53.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -4.95 35.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -73.44 -44.57 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.01 -170.65 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -12.63 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.594 ' NE2' HD12 ' A' ' 20' ' ' ILE . 8.6 tt0 -130.62 145.44 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -121.83 141.17 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 20' ' ' ILE . 2.1 t -119.55 118.63 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.443 HG23 HG13 ' A' ' 67' ' ' VAL . 3.7 mp -135.21 121.98 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG12 ' CG2' ' A' ' 16' ' ' ILE . 2.2 t -97.76 113.76 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.433 HG23 HG22 ' A' ' 98' ' ' ILE . 82.5 p -132.17 157.13 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.682 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -131.24 160.18 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -76.43 137.34 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 17.3 mt -123.31 179.18 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p -38.33 154.79 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -119.96 -38.51 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 65.04 133.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 mmt -140.13 151.55 65.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.88 9.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.07 152.32 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.586 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -88.96 -77.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 23.9 t30 42.36 90.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.37 108.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.83 167.64 15.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -163.81 107.05 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 152.66 41.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.55 120.68 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.8 m -132.98 132.05 41.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.28 161.03 30.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.05 166.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 151.76 5.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 123.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.87 153.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.92 -144.98 11.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.68 135.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.39 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 9' ' ' THR . 9.3 t -167.94 76.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -136.55 129.64 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.01 147.77 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -120.09 76.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -137.31 128.4 27.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 79.53 153.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.608 ' C ' HD13 ' A' ' 16' ' ' ILE . . . -123.82 31.65 4.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' CG ' ' A' ' 101' ' ' ARG . 1.7 mm -107.62 120.02 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -120.82 119.77 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.72 148.13 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.828 HG22 HD21 ' A' ' 21' ' ' LEU . 3.9 m -125.26 103.1 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 ' CD ' ' A' ' 95' ' ' GLN . 18.4 mm -95.8 114.26 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 19' ' ' THR . 1.3 mm? -106.37 123.43 48.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.56 102.14 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -126.41 -174.51 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.91 152.87 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 10.3 pt-20 -53.66 102.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.39 26.32 16.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.98 -33.4 13.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.33 165.86 28.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 4.1 mt -94.33 -47.51 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.45 -5.9 14.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -136.0 170.09 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.792 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 33' ' ' LEU . 30.3 t -127.31 169.19 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.909 HD11 HD12 ' A' ' 70' ' ' ILE . 3.4 mt -94.88 158.18 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -139.3 151.09 46.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.23 176.1 27.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -162.2 -162.95 13.99 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -87.66 -45.75 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.89 -18.26 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.9 mp -81.56 -179.95 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.18 -38.02 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -85.38 85.87 7.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.0 tptp -53.18 -38.28 62.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG21 ' CD ' ' A' ' 66' ' ' GLU . 2.5 p -90.89 117.89 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 44' ' ' ILE . 1.9 mp -64.49 136.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -124.63 172.12 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.658 HG21 HG23 ' A' ' 61' ' ' ILE . 41.9 t -75.07 101.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 1.4 t-80 -55.36 -61.47 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 153.67 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -120.12 96.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -39.66 154.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.84 6.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -115.48 86.83 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.66 -171.86 25.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -50.4 5.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.5 -33.22 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -75.72 -46.81 28.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.89 -42.43 65.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.67 ' HG2' HG23 ' A' ' 19' ' ' THR . 4.5 tp10 -62.7 -56.17 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.65 -4.89 66.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.679 HG21 ' OG1' ' A' ' 19' ' ' THR . 2.3 m -78.37 -44.41 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.658 HG23 HG21 ' A' ' 46' ' ' VAL . 8.7 mt -86.68 96.52 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' LYS . 34.9 mt-30 -110.26 132.4 54.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -37.21 130.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.5 -27.55 19.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -46.46 161.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HA ' HG22 ' A' ' 45' ' ' THR . 7.6 tt0 -98.94 115.06 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HA ' HG22 ' A' ' 100' ' ' THR . 88.4 t -87.14 104.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.794 HD11 ' HD2' ' A' ' 101' ' ' ARG . 1.8 mt -74.34 -47.27 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.79 161.72 40.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.909 HD12 HD11 ' A' ' 33' ' ' LEU . 5.3 mt -135.69 121.89 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.1 6.52 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 -0.35 46.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -89.44 113.46 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 m -81.01 147.04 30.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.7 mt -84.23 97.71 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 13.74 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.13 26.7 2.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.848 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.02 142.89 50.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.405 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 p -72.86 175.26 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.442 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 84' ' ' LEU . 41.8 t60 -58.06 -45.21 87.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -72.35 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.848 ' HB3' HG22 ' A' ' 78' ' ' THR . 35.8 m-20 -42.91 -28.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.14 -59.6 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.746 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.3 mt -47.57 -42.25 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -63.91 -59.07 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.87 -36.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.71 -36.89 73.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.646 ' N ' HD13 ' A' ' 87' ' ' LEU . 42.1 mtt180 -65.97 -9.61 31.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 11.4 mt-30 -100.18 -26.52 13.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -8.45 30.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CG ' ' HG ' ' A' ' 29' ' ' LEU . 2.2 mtp85 -97.54 -4.55 37.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 28.8 mt-10 -69.7 -43.39 21.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -100.14 -3.4 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' CD ' HG23 ' A' ' 20' ' ' ILE . 3.6 tt0 -142.46 144.34 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.68 133.62 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.17 111.91 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -124.43 125.17 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.605 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -108.74 113.56 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 67' ' ' VAL . 68.6 p -131.96 160.33 36.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.794 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -110.79 157.15 20.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -76.0 121.12 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 104' ' ' THR . 1.8 mt -128.66 178.15 6.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 103' ' ' LEU . 13.4 p 54.0 164.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -70.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -168.61 46.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.84 173.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.3 ttp -84.28 126.48 69.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 128.35 11.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -154.6 123.4 6.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.574 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -88.14 -77.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.2 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.21 170.57 16.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.0 p -117.51 168.27 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.57 77.1 0.33 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 160.53 39.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.33 166.75 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.9 m -136.58 130.23 32.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.23 -59.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 65.83 159.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 136.86 3.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 p 176.35 151.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.979 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p 178.34 161.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.84 -162.13 32.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.79 -173.69 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -125.18 52.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.24 165.26 13.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -57.01 -78.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -94.44 70.02 3.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tp -168.24 136.84 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 69.0 172.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 16' ' ' ILE . . . -94.24 57.7 2.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 4.5 mm -120.11 130.26 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 0.734 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -127.55 123.93 36.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.06 151.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.923 HG22 HD21 ' A' ' 21' ' ' LEU . 6.9 m -121.39 110.52 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.649 HG23 ' OE1' ' A' ' 95' ' ' GLN . 27.5 mm -110.15 107.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HG22 ' A' ' 19' ' ' THR . 2.6 mm? -107.21 126.34 52.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -94.93 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -174.77 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 4.9 mt-10 -102.61 163.74 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.73 102.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.57 39.83 11.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -96.93 -27.86 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 91' ' ' ARG . . . 102.05 151.14 23.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.821 HD12 HD21 ' A' ' 87' ' ' LEU . 68.4 mt -81.8 -47.26 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.41 -12.26 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 29' ' ' LEU . 10.7 p90 -131.15 167.09 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.56 172.63 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 44' ' ' ILE . 4.5 mt -103.27 155.21 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.938 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -139.26 151.24 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 88.6 -179.73 46.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 172.48 170.42 36.26 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.83 -21.16 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.6 mp -86.53 -168.83 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.34 -25.46 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -96.26 99.93 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 25.2 mmtm -59.86 -46.13 90.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -88.09 118.22 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG21 HD13 ' A' ' 33' ' ' LEU . 1.5 mp -59.89 154.86 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.859 HG22 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -140.22 -179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 65' ' ' ASN . 11.1 t -83.52 99.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.938 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 t-160 -58.96 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 154.83 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 56' ' ' SER . 15.8 t -124.06 98.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m-30 -39.96 153.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.41 11.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -117.35 86.22 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.76 -169.97 23.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.0 -49.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.32 -35.46 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.689 ' HB2' HG12 ' A' ' 49' ' ' VAL . 36.9 t -77.59 -47.32 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -55.79 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.49 -42.49 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -5.84 82.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -63.7 -49.27 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 0.769 . . . . 0.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 19.7 mt -96.9 90.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 59.9 mt-30 -104.19 126.81 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 12.2 ttpt -39.08 106.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ASN . . . 140.08 -16.35 3.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.672 ' HB2' HG23 ' A' ' 46' ' ' VAL . 31.7 m120 -53.81 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.859 ' HA ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -115.8 -17.75 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' ' 45' ' ' THR . 6.3 t 45.79 93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 101' ' ' ARG . 1.2 mt -74.22 -49.59 22.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.9 p -156.45 178.36 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.915 HG22 ' OD1' ' A' ' 71' ' ' ASN . 36.1 mt -145.93 124.59 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.915 ' OD1' HG22 ' A' ' 70' ' ' ILE . 15.2 m120 70.47 7.12 6.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.79 55.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 106.19 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 126.45 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 44' ' ' ILE . 12.0 mt -68.4 101.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 13.79 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.64 26.81 2.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.849 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.7 143.36 42.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 6.6 p -76.44 160.27 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.877 ' CD2' HD11 ' A' ' 84' ' ' LEU . 56.9 t60 -45.58 -44.82 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.6 t-160 -67.86 -60.11 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.849 ' CB ' HG22 ' A' ' 78' ' ' THR . 21.6 m-20 -46.74 -27.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.33 -54.79 4.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.6 mt -49.27 -46.11 45.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.84 -57.18 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.52 -33.94 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.821 HD21 HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.02 -34.33 66.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.1 mtt180 -70.74 -18.32 62.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 12.7 mt-30 -87.02 -30.46 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.75 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' NH1' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -98.19 -4.77 34.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.61 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -71.45 -44.85 13.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -22.74 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.649 ' OE1' HG23 ' A' ' 20' ' ' ILE . 9.0 tt0 -124.78 147.46 48.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -126.58 142.14 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.52 115.55 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.54 121.13 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 2.8 t -92.0 125.14 44.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 7.2 p -144.53 143.66 30.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG2' HD21 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -111.78 150.99 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -64.69 117.25 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 66' ' ' GLU . 16.0 mt -105.89 129.71 53.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -49.42 158.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.9 -63.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -172.8 66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 22.9 ttt -152.32 86.51 4.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.91 33.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -99.26 105.46 17.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -89.74 57.35 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.91 151.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 84.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.73 164.12 23.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.65 -176.08 14.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.1 t -171.93 168.98 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.42 169.86 14.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.1 133.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.52 157.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.85 96.36 1.03 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -172.1 160.88 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.977 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.53 126.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.73 114.26 0.33 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.91 107.65 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.4 m -158.29 146.44 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -78.48 71.62 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -173.66 173.54 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -76.09 89.71 3.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.75 119.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.97 174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.608 ' C ' HD13 ' A' ' 16' ' ' ILE . . . -160.11 37.82 0.46 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' CG ' ' A' ' 101' ' ' ARG . 1.3 mm -113.36 113.22 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -119.76 118.61 31.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.96 137.31 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.778 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.7 m -114.18 104.26 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.512 ' CD1' HG22 ' A' ' 97' ' ' VAL . 21.9 mm -91.96 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -98.0 132.31 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -111.16 103.27 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -129.96 -174.9 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -87.54 169.55 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.0 mt-10 -67.61 101.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.89 10.28 64.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.07 158.55 26.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.518 HD23 ' HE2' ' A' ' 23' ' ' LYS . 5.6 mt -84.24 -47.55 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.7 -5.59 9.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -137.23 167.34 21.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -121.77 163.46 19.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.798 HD11 HD12 ' A' ' 70' ' ' ILE . 6.9 mt -92.58 158.97 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.43 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 176.23 50.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -173.91 -166.93 32.82 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.25 -45.62 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.59 -22.86 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.3 mp -79.14 178.02 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -40.68 71.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' GLY . 83.1 m-20 -83.11 94.97 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -56.24 -45.61 79.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG21 ' CD ' ' A' ' 66' ' ' GLU . 9.3 p -87.27 119.03 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.0 mp -60.15 141.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.0 p -127.56 173.11 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 61' ' ' ILE . 48.4 t -76.87 105.16 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.4 t-160 -59.82 -61.48 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.86 152.07 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.08 103.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.3 m-30 -45.18 154.72 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.54 8.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -116.02 86.12 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.1 -167.19 19.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -95.2 -53.68 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -41.8 -29.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.57 -45.8 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.9 mt-30 -58.21 -45.36 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -62.4 -59.3 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 13.23 35.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.778 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -91.71 -48.82 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.43 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 mt -92.55 99.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 24.2 mt-30 -117.25 126.35 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -42.13 108.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 129.42 -12.08 6.03 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 33.8 m120 -78.94 -177.04 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG21 ' A' ' 43' ' ' VAL . 1.3 tt0 -114.97 127.44 55.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.58 ' HA ' HG22 ' A' ' 100' ' ' THR . 59.3 t -95.73 117.92 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 101' ' ' ARG . 3.5 mt -87.77 -48.51 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -157.09 165.81 35.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.798 HD12 HD11 ' A' ' 33' ' ' LEU . 39.7 mt -142.64 131.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 64.92 12.58 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.84 6.58 63.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -92.25 106.67 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.45 135.7 42.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.4 mt -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 13.22 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.1 26.28 3.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.91 144.36 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.43 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -73.95 172.76 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.789 ' CD2' HD11 ' A' ' 84' ' ' LEU . 45.1 t60 -56.43 -45.53 80.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.3 t60 -71.1 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.829 ' HB3' HG22 ' A' ' 78' ' ' THR . 84.7 m-20 -45.24 -26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -84.41 -61.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.789 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.4 mt -42.39 -45.6 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.52 -57.05 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.55 -39.52 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.759 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.39 -35.88 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' N ' HD13 ' A' ' 87' ' ' LEU . 6.4 mtp85 -72.84 -16.13 61.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.64 -28.65 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.56 -7.89 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -9.4 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -65.6 -43.99 63.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.0 -178.34 4.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -92.73 -17.68 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.3 tt0 -128.91 147.0 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.52 147.03 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.61 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.517 HG22 HG23 ' A' ' 100' ' ' THR . 3.6 mp -126.36 129.89 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 68' ' ' LEU . 3.3 t -111.56 113.62 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 67' ' ' VAL . 82.7 p -135.0 150.53 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.626 ' CG ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -102.63 147.19 27.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -73.29 -17.19 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 mt 48.51 -128.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -83.98 160.88 56.99 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.447 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 170.19 20.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.01 56.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.91 97.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.17 157.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.55 4.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -102.5 93.56 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -87.36 58.89 5.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 170.67 99.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.4 t -126.34 131.64 51.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -113.33 153.77 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 73.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.91 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m 62.27 169.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.88 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -163.84 145.15 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.78 165.59 21.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 149.75 21.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.98 110.85 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.55 151.66 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.46 -179.94 18.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 122.55 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' THR . 9.7 t -157.94 108.63 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.6 179.49 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -151.78 127.47 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.23 118.8 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.13 104.63 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.99 144.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 16' ' ' ILE . . . -105.43 54.28 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 5.6 mm -116.81 119.79 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -113.74 127.49 56.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -87.74 136.79 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.901 ' OG1' HG21 ' A' ' 60' ' ' THR . 3.0 m -120.41 111.59 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 97' ' ' VAL . 27.2 mm -95.75 115.15 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -102.08 126.86 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -98.79 107.29 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -133.65 176.58 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -97.85 170.51 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.24 114.56 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.87 29.05 72.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 -33.23 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.04 163.91 32.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -87.32 -46.86 9.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.94 -4.99 8.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 29' ' ' LEU . 11.7 p90 -137.28 168.83 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.493 ' C ' HD23 ' A' ' 33' ' ' LEU . 81.0 p -120.33 177.57 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 44' ' ' ILE . 5.0 mt -103.38 160.38 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.78 151.53 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.83 175.7 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -167.51 -168.41 29.63 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -81.47 -43.1 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.3 mp -78.44 -175.34 4.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.68 -33.5 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -88.16 88.61 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.33 -44.31 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.44 120.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.607 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -60.56 152.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -138.48 175.92 9.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CG2' ' A' ' 61' ' ' ILE . 45.6 t -82.43 96.58 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 10.9 t-160 -54.49 -60.92 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -145.86 157.1 43.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 t -123.54 96.05 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -38.8 152.08 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.77 9.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -116.26 86.09 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.04 -165.57 19.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.8 mt -95.84 -45.81 6.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.7 -19.15 15.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.54 -19.53 19.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -35.47 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -63.16 -64.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.06 8.01 34.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.901 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -94.46 -48.79 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.554 ' CG2' HG21 ' A' ' 46' ' ' VAL . 10.2 mt -89.36 98.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.09 131.97 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.2 ttpp -47.29 114.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.15 -10.14 10.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -74.96 -176.98 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 45' ' ' THR . 14.4 tt0 -115.19 116.75 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.55 118.53 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.6 mt -86.92 -50.2 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 p -148.74 167.56 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -142.41 119.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER 78.27 0.36 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.71 1.27 36.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 116.84 30.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.84 150.79 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.586 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.2 mt -83.26 103.51 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 13.02 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.84 26.49 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.879 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -57.28 140.05 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -71.98 162.59 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.7 t60 -48.98 -32.01 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.75 -60.76 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.879 ' HB3' HG22 ' A' ' 78' ' ' THR . 7.5 m-20 -46.0 -27.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.73 -53.11 7.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -49.32 -52.45 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.8 -52.91 63.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.41 -39.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.749 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.5 -32.93 73.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mtt-85 -72.69 -12.84 61.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -94.04 -32.3 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.08 -8.76 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 6.8 mtt180 -98.04 -9.79 25.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -62.27 -43.03 84.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.03 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.6 mpt_? -107.58 -19.19 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.03 146.32 46.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -126.74 134.55 50.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -114.41 119.45 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.53 ' CD1' HD23 ' A' ' 21' ' ' LEU . 4.0 mp -128.05 126.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.546 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 21.3 t -107.73 120.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -139.3 163.39 32.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -130.1 146.04 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 4.4 mptt -61.17 129.5 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 66' ' ' GLU . 20.4 mt -107.86 -178.64 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.1 p -48.74 158.31 0.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.07 37.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.71 149.68 50.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.71 138.58 23.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ttt -162.47 129.85 2.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -112.12 99.7 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -64.8 179.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.85 165.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.98 90.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -43.38 162.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.15 171.44 37.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.97 42.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -150.12 170.49 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 92.3 p -93.2 169.58 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -163.53 169.6 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -156.43 134.04 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.4 173.81 0.94 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.59 -50.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -174.24 168.06 4.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -75.75 -69.4 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 66.73 173.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.3 m 46.39 86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.23 124.15 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -49.82 175.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.59 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.749 HD13 ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 87.59 147.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.749 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 69.66 -75.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.1 31.61 7.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.762 HD13 ' HB3' ' A' ' 101' ' ' ARG . 7.5 mm -99.57 133.74 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.549 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -70.92 153.16 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 HG22 HD21 ' A' ' 21' ' ' LEU . 2.0 m -135.1 114.08 12.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.531 ' O ' HD13 ' A' ' 21' ' ' LEU . 33.3 mm -97.47 126.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.2 mm? -116.32 121.54 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -84.43 111.37 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.832 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.7 pttp -135.89 -173.72 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' H ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 mt-10 -117.63 166.81 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 102.93 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.08 31.52 17.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' H ' ' A' ' 24' ' ' GLU . . . -97.94 -30.77 12.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.2 33.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -80.99 -46.84 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.41 -2.7 8.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 29' ' ' LEU . 12.1 p90 -139.78 175.93 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -129.01 172.84 10.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.816 HD13 HG21 ' A' ' 44' ' ' ILE . 6.4 mt -99.16 161.59 13.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.28 151.53 40.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 65.0 -171.12 23.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -175.27 -150.26 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.03 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.44 -18.68 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' HA2' ' A' ' 35' ' ' GLY . 6.4 mp -83.5 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.37 -33.99 42.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLY . 78.3 m-20 -86.97 87.37 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -53.82 -20.36 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -105.66 123.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.816 HG21 HD13 ' A' ' 33' ' ' LEU . 1.9 mp -65.92 110.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -96.53 170.0 9.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CG2' ' A' ' 61' ' ' ILE . 46.7 t -79.86 104.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.773 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 18.9 t-160 -55.79 -61.45 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 109.646 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 56' ' ' SER . 21.8 t -126.41 94.54 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.6 m-30 -37.51 153.12 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.29 9.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -117.16 86.19 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.45 -164.07 15.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -96.01 -55.53 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.79 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.671 ' HB2' HG12 ' A' ' 49' ' ' VAL . 29.3 t -74.42 -51.27 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.57 -34.8 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HG3' HG23 ' A' ' 19' ' ' THR . 3.9 mm-40 -70.14 -59.32 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.85 -2.93 58.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -83.48 -44.22 14.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.57 ' CG2' HG21 ' A' ' 46' ' ' VAL . 17.8 mt -87.96 90.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . 54.3 mt-30 -103.15 132.27 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.4 ttpp -44.32 111.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.59 16.17 6.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 62' ' ' GLN . 28.0 m120 -108.84 139.65 43.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.672 ' CD ' HG12 ' A' ' 43' ' ' VAL . 4.5 tp10 -67.95 131.09 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 70' ' ' ILE . 89.4 t -100.16 86.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 99' ' ' VAL . 11.2 mt -43.13 -62.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -146.08 171.38 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.805 HD11 HG11 ' A' ' 67' ' ' VAL . 46.3 mt -142.49 123.19 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.31 5.72 5.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.53 6.32 53.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.425 1.078 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -99.17 111.84 24.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 150.49 39.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.747 HD11 ' O ' ' A' ' 67' ' ' VAL . 5.1 mt -84.24 102.44 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.37 11.49 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.54 27.01 3.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.76 143.15 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.38 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 p -75.48 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.859 ' CD2' HD11 ' A' ' 84' ' ' LEU . 72.2 t60 -49.9 -45.67 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.751 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.1 t-80 -69.3 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.886 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.2 m-20 -45.91 -26.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.45 -48.11 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.859 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.7 mt -50.55 -51.89 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.99 -52.4 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.886 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -70.66 -33.09 70.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' ALA . 83.6 mtt180 -69.73 -13.51 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 21.5 mt-30 -93.46 -31.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.01 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -98.4 -5.98 31.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 3.8 mm-40 -68.74 -43.31 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 173.46 14.48 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' LYS . 8.2 mtm-85 -91.54 6.95 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -143.8 144.57 31.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -118.0 130.84 56.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.15 115.3 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 21' ' ' LEU . 2.9 mp -130.36 129.98 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 68' ' ' LEU . 6.9 t -112.15 115.68 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 p -134.75 163.29 30.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.762 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -132.2 145.2 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -64.36 106.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 66' ' ' GLU . 50.8 mt -86.11 173.39 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' LEU . 65.7 p -39.17 158.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 152.74 41.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.66 171.26 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.18 118.14 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 ttm -177.17 99.62 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -68.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -167.04 167.39 14.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -89.56 -78.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.4 t30 53.7 177.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 m 61.86 151.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.64 97.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -156.3 75.95 0.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.77 161.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.3 p -164.55 119.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.73 153.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m 68.76 166.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.05 -58.49 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 52.7 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -104.09 173.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -131.6 155.36 21.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 69.88 -65.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' GLY . 21.8 m 61.66 146.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.8 94.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.83 -55.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -41.99 116.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -126.22 145.45 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.2 t0 80.93 -67.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.46 35.08 5.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.478 HG21 ' CG1' ' A' ' 99' ' ' VAL . 10.2 mm -106.08 155.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.794 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.95 110.43 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -77.47 144.02 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.985 HG23 ' HG2' ' A' ' 58' ' ' GLU . 24.4 m -127.51 106.59 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 97' ' ' VAL . 28.7 mm -97.26 108.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -92.56 133.2 36.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.48 ' N ' HD13 ' A' ' 54' ' ' LEU . 3.8 m80 -112.97 101.34 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -135.58 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.16 168.14 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.74 107.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.94 25.66 55.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.94 -33.29 30.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 163.2 35.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.6 mt -85.74 -47.2 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 125.45 -5.6 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 27.1 p90 -132.92 165.05 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 0.816 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 47' ' ' HIS . 7.3 m -117.74 166.64 12.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 70' ' ' ILE . 4.1 mt -94.17 159.42 15.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -147.57 151.27 36.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.632 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 89.08 -160.88 29.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 161.16 -177.67 37.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -76.37 -50.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.31 -24.2 61.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 35' ' ' GLY . 9.0 mp -72.51 176.56 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.43 -40.48 81.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -88.31 97.27 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -53.21 -46.0 68.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.929 HG21 ' OE2' ' A' ' 66' ' ' GLU . 7.1 p -88.18 124.07 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.679 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -60.7 152.42 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.2 p -138.64 172.36 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 61' ' ' ILE . 40.7 t -76.73 99.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -55.41 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -143.03 145.73 33.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 61.6 t -112.51 91.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.8 m-30 -38.29 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.8 14.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -115.26 84.59 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.82 -171.99 29.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 23' ' ' LYS . 17.7 mt -89.25 -50.85 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -40.4 -55.2 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -54.47 -41.27 69.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -69.45 -38.91 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.985 ' HG2' HG23 ' A' ' 19' ' ' THR . 23.8 tp10 -58.86 -57.87 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.03 59.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.667 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.3 m -95.2 -49.15 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -85.1 94.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -111.4 127.45 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -43.87 110.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.02 -11.68 7.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -75.01 177.85 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.929 ' OE2' HG21 ' A' ' 43' ' ' VAL . 6.3 tt0 -108.97 124.46 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG11 HD11 ' A' ' 70' ' ' ILE . 51.6 t -94.99 122.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 99' ' ' VAL . 3.9 mt -90.91 -50.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -151.99 164.02 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.502 ' CD1' HD11 ' A' ' 33' ' ' LEU . 85.8 mt -138.66 121.06 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.41 9.24 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.22 47.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -82.98 110.77 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.53 137.97 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.6 mt -79.8 97.27 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 13.33 10.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.25 26.85 2.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.74 142.49 49.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.426 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.0 p -75.46 177.89 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.896 ' O ' HD22 ' A' ' 84' ' ' LEU . 35.1 t60 -59.39 -42.46 91.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -73.78 -63.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.86 ' HB3' HG22 ' A' ' 78' ' ' THR . 70.6 m-20 -43.9 -27.32 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.35 -58.36 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.896 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -43.74 -48.32 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -56.92 -56.83 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -45.43 -47.34 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.778 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.99 -29.0 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.6 mt-30 -78.27 -30.78 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.43 -7.5 47.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 3.0 mtt-85 -98.25 -5.99 32.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.6 mm-40 -69.97 -44.11 21.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.0 Cg_endo -75.07 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -109.31 -11.58 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.9 tt0 -136.15 150.5 49.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -138.13 144.83 41.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.5 119.76 62.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 3.6 mp -123.53 119.88 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -100.57 113.78 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.554 HG23 HG22 ' A' ' 98' ' ' ILE . 71.8 p -130.74 154.11 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.539 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -106.92 161.16 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 129.19 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mt -126.75 176.54 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.6 p -38.66 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -64.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 76.99 -58.68 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.05 130.23 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 17.5 mtp -141.3 114.36 6.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.46 21.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.769 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -110.49 139.04 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.3 mt -74.68 177.7 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.17 146.48 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.62 159.24 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.96 152.59 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -149.64 178.89 26.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.21 33.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 t -151.08 152.71 33.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.8 t -121.01 119.96 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.962 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -136.48 159.47 41.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.11 126.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.57 79.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -171.27 141.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -153.79 129.53 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.78 157.14 27.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.27 138.22 21.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m 63.7 71.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.89 101.48 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -96.34 140.14 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 mt-30 166.35 93.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.23 125.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.25 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.23 79.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.71 93.65 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.767 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -110.33 146.8 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.27 126.0 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.83 133.5 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.798 HG23 ' HG3' ' A' ' 58' ' ' GLU . 4.1 m -114.64 118.67 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 97' ' ' VAL . 25.9 mm -107.51 107.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.833 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.4 mm? -97.61 124.85 42.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -96.49 103.39 15.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.631 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -125.63 179.19 5.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -98.15 169.74 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.05 102.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.49 36.13 24.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.4 -33.09 14.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.89 165.26 27.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.85 -47.27 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 125.34 -1.57 8.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 29' ' ' LEU . 14.1 p90 -140.84 176.71 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -128.44 172.65 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.01 157.97 16.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.8 150.65 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 174.92 49.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.509 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.75 179.92 43.16 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -77.42 -41.17 40.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.62 -23.63 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.0 mp -81.75 -171.02 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.53 -30.59 33.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -87.57 88.15 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -52.6 -43.71 65.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.87 121.11 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -63.83 147.17 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.3 p -133.6 171.85 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 61' ' ' ILE . 47.5 t -75.17 101.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 14.4 t-80 -57.25 -61.3 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -148.36 155.53 41.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 t -122.91 96.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.472 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.17 154.12 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.86 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -117.16 86.51 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.88 -167.16 19.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 21' ' ' LEU . 2.1 mt -92.73 -48.83 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.01 -37.82 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -34.77 65.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.85 -46.83 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.798 ' HG3' HG23 ' A' ' 19' ' ' THR . 1.4 mm-40 -66.05 -51.81 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.84 70.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.549 HG21 ' OG1' ' A' ' 19' ' ' THR . 3.9 m -68.11 -49.49 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 12.0 mt -86.32 94.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.6 mt-30 -111.05 123.93 51.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLN . 5.3 ttpp -40.16 111.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.37 -13.87 8.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -169.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -118.21 121.21 39.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.32 92.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.584 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.0 mt -66.6 -47.91 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.8 p -146.43 170.81 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.18 121.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.4 t30 68.38 9.2 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.39 8.27 50.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 120.57 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.43 151.15 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.4 mt -87.54 106.06 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 13.41 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.07 26.49 2.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.61 144.39 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -73.93 167.95 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.889 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.0 t60 -57.2 -26.11 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.405 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER -87.53 -61.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.897 ' O ' HD12 ' A' ' 86' ' ' ILE . 76.7 m-20 -46.63 -25.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.05 -53.46 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.76 -54.76 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.5 -52.65 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -46.76 -39.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.21 -35.28 76.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 35.4 mtt180 -72.26 -11.72 60.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 29.4 mt-30 -93.26 -29.02 15.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.49 -7.68 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -6.66 33.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 39.2 mt-10 -66.58 -43.35 50.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.06 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.83 -8.57 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 29.5 tt0 -129.03 144.7 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -122.82 130.41 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -112.8 110.99 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.547 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -123.63 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 t -114.39 113.4 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 16' ' ' ILE . 82.8 p -134.26 142.58 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.584 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -114.56 148.39 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.71 129.3 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 66' ' ' GLU . 32.0 mt -107.9 171.65 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.9 p -40.78 160.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -167.78 178.32 5.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 108' ' ' MET . . . -133.17 172.96 11.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -36.78 97.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 107' ' ' ALA . 18.3 Cg_endo -74.99 -176.7 3.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.85 115.88 30.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -66.74 179.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 151.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -162.37 100.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.6 t -50.74 110.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 57.49 98.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -54.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 m 45.32 94.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 p -71.8 110.47 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -167.78 118.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p -155.78 140.09 16.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.7 -155.51 30.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -156.2 152.73 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -80.38 81.57 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.058 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.45 -84.26 1.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 9' ' ' THR . . . -105.06 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.498 HG21 HD22 ' A' ' 13' ' ' LEU . 0.5 OUTLIER 62.23 153.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.95 -50.16 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.16 164.04 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 68.95 86.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD22 HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -102.68 127.71 49.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.0 t0 80.8 166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.69 40.32 2.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 101' ' ' ARG . 9.2 mm -105.18 137.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -134.09 106.68 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.634 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.44 152.82 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.8 OUTLIER -128.18 119.79 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.673 HD12 ' NE2' ' A' ' 95' ' ' GLN . 19.3 mm -96.41 107.61 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -89.92 127.24 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -101.87 108.06 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -142.02 -174.58 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -106.7 172.28 6.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.353 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mt-10 -65.58 103.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.37 28.98 23.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.09 -33.04 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.73 164.42 32.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 2.3 mt -91.28 -46.12 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.24 -6.49 10.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p90 -133.47 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.401 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -122.1 177.61 5.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 70' ' ' ILE . 7.8 mt -104.6 160.34 15.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.32 151.94 40.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.9 178.54 51.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -177.99 -173.14 43.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -75.4 -44.87 42.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.56 -24.03 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.8 mp -74.88 175.35 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.81 -41.15 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 12.4 p30 -88.31 107.82 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.74 HG21 ' OE2' ' A' ' 66' ' ' GLU . 11.6 p -83.57 129.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -70.0 153.87 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.671 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -138.85 172.68 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 61' ' ' ILE . 39.3 t -78.47 98.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.924 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 15.3 t-160 -53.71 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -146.8 158.88 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 22.3 t -127.94 97.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -37.78 153.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.5 5.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -116.1 86.36 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.22 -163.79 13.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -96.33 -51.5 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 31' ' ' PHE . . . -46.9 -25.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 54' ' ' LEU . 1.6 t -88.49 -45.88 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.8 -44.21 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -2.81 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 19' ' ' THR . 6.2 m -79.39 -48.83 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 98' ' ' ILE . 9.4 mt -88.76 91.82 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 36.7 mt-30 -105.6 129.33 53.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -44.81 116.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -12.45 12.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 11.8 m120 -70.4 176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.74 ' OE2' HG21 ' A' ' 43' ' ' VAL . 13.9 tt0 -109.95 117.88 34.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.68 105.67 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 101' ' ' ARG . 5.5 mt -76.01 -50.91 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -153.12 168.0 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.916 HG22 ' OD1' ' A' ' 71' ' ' ASN . 20.7 mt -139.21 120.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.916 ' OD1' HG22 ' A' ' 70' ' ' ILE . 0.9 OUTLIER 73.14 6.54 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.39 2.32 53.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 106.47 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.24 147.46 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.9 mt -83.23 105.36 14.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 13.27 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.58 26.55 3.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.84 142.23 41.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -76.45 159.83 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.923 ' CD2' HD11 ' A' ' 84' ' ' LEU . 75.5 t60 -45.05 -45.97 11.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.523 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -67.56 -60.76 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.856 ' HB3' HG22 ' A' ' 78' ' ' THR . 29.3 m-20 -47.9 -25.35 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.42 -50.17 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.9 mt -51.97 -47.98 64.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.12 -56.8 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.45 -36.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.97 -33.09 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 54.7 mtp180 -72.54 -14.57 61.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 mt-30 -92.76 -28.31 16.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB1' HD21 ' A' ' 71' ' ' ASN . . . -72.23 -5.13 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -99.69 -3.67 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -75.7 -41.15 3.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.96 174.68 12.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -16.39 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.673 ' NE2' HD12 ' A' ' 20' ' ' ILE . 1.2 tm0? -129.04 148.51 51.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.2 132.14 39.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.05 122.7 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 61' ' ' ILE . 4.5 mp -128.86 120.47 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 HD12 ' A' ' 68' ' ' LEU . 14.0 t -99.18 113.91 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 98' ' ' ILE . 80.9 p -133.76 156.22 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -100.58 161.16 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -80.17 107.63 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 66' ' ' GLU . 7.6 mt -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 p -39.73 157.42 0.14 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -116.48 137.77 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.02 129.41 35.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.49 81.03 0.5 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.49 5.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -153.9 86.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -68.0 177.72 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.41 138.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.5 p -175.23 77.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.92 170.47 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -79.67 134.53 13.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.49 4.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t 59.77 154.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.2 m -106.4 -56.93 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 p -151.72 158.98 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -177.44 139.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.25 -136.63 4.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 167.52 23.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -163.57 123.96 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.74 21.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.84 156.74 47.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -161.71 157.77 24.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.88 166.31 11.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -114.24 -65.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 139.89 19.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 14' ' ' ASP . 2.1 tt -176.28 126.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' HD23 ' A' ' 13' ' ' LEU . 12.7 t0 66.72 154.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.14 58.29 2.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.588 HD13 ' HB3' ' A' ' 101' ' ' ARG . 4.0 mm -115.41 119.05 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -124.31 116.4 22.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.564 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.47 143.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.889 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.1 m -123.75 110.53 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.666 HD13 ' CG2' ' A' ' 97' ' ' VAL . 16.6 mm -86.51 107.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -91.98 128.77 37.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -106.24 106.17 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.625 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.8 pttp -135.15 -174.6 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 3.0 mt-10 -102.44 171.29 7.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.08 102.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.59 42.47 21.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -97.22 -20.33 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.49 135.44 7.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 96' ' ' ALA . 80.9 mt -64.65 -47.85 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.8 -9.43 9.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HE1' HD13 ' A' ' 29' ' ' LEU . 8.0 p90 -136.22 169.73 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -122.71 172.45 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.702 HD13 HG21 ' A' ' 44' ' ' ILE . 4.9 mt -100.65 156.2 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.933 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.95 132.87 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 167.99 21.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.98 147.57 8.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -54.25 -34.84 61.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.0 -23.34 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -86.77 179.46 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.66 -30.14 69.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.5 p30 -93.72 134.97 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -100.33 -17.13 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 45' ' ' THR . 1.4 t -101.03 114.06 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -70.12 113.61 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -104.13 166.11 10.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.434 HG21 HG23 ' A' ' 61' ' ' ILE . 48.7 t -68.93 101.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.933 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 5.3 t-160 -52.94 -61.44 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.43 153.88 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -117.82 93.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -37.68 153.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.76 9.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -116.41 85.69 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.71 -170.2 27.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.7 mt -91.71 -52.08 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -44.79 -30.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -50.6 12.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.25 -49.04 77.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 19' ' ' THR . 1.9 tp10 -58.28 -41.43 84.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.82 -1.11 63.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.889 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -78.04 -48.86 15.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 17.2 mt -81.12 90.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 77.8 mt-30 -100.83 138.39 37.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -48.72 131.61 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.31 -16.15 60.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 45' ' ' THR . 2.4 m120 -59.64 156.64 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.591 ' CB ' HD11 ' A' ' 103' ' ' LEU . 2.3 tt0 -93.54 110.64 22.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.561 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -84.71 84.53 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 99' ' ' VAL . 1.8 mt -48.97 -52.98 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.42 170.22 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -133.93 105.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 82.82 -2.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -7.32 11.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 116.9 28.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 155.53 27.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD13 ' HB ' ' A' ' 44' ' ' ILE . 1.2 mt -91.23 102.62 15.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.38 14.43 8.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 119.12 27.62 2.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.817 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.13 144.86 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -72.32 -179.13 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.3 t60 -66.73 -35.64 80.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -81.12 -57.31 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.837 ' O ' HD12 ' A' ' 86' ' ' ILE . 81.2 m-20 -43.93 -29.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.99 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.691 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.74 -54.51 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.41 -55.22 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.863 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.62 -33.53 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ALA . 53.1 mtt180 -69.53 -14.17 62.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -91.18 -31.24 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.15 -7.61 50.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -97.94 -7.27 30.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.5 mm-40 -67.96 -43.81 38.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -167.95 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -104.46 -18.71 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 8.5 tt0 -126.72 149.86 49.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -140.48 140.49 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.666 ' CG2' HD13 ' A' ' 20' ' ' ILE . 2.1 t -116.89 115.53 49.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 4.2 mp -116.63 117.86 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.553 HG12 ' CG2' ' A' ' 16' ' ' ILE . 3.1 t -95.49 117.45 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.51 ' CG2' HG22 ' A' ' 98' ' ' ILE . 9.2 p -141.75 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.588 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -136.05 149.07 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.33 110.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.591 HD11 ' CB ' ' A' ' 66' ' ' GLU . 97.4 mt -102.41 143.17 32.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 50.1 p -40.08 157.58 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.72 24.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -175.58 151.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 108' ' ' MET . . . -174.42 140.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.484 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 166.79 -52.89 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 108' ' ' MET . 18.4 Cg_endo -74.97 88.24 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.17 125.47 13.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.63 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -90.19 -77.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.0 t30 45.19 76.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 p -155.82 160.03 39.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.3 m -134.22 168.88 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.89 121.91 2.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.65 5.89 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 t -162.06 156.86 22.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.85 149.08 24.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.79 144.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 0.798 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -171.7 164.28 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 172.72 31.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -135.19 171.87 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 139.22 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 142.68 16.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.17 131.26 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.783 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -96.3 161.95 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.58 68.04 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.2 157.09 35.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -177.9 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.53 97.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 175.06 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.0 24.7 74.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 99' ' ' VAL . 6.1 mm -103.46 122.55 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -119.59 128.34 53.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -84.22 150.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.492 HG22 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -130.49 128.57 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.739 ' CD1' HG22 ' A' ' 97' ' ' VAL . 11.6 mm -111.56 108.41 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -93.67 136.62 33.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.67 ' CE1' HG22 ' A' ' 20' ' ' ILE . 9.9 m80 -116.34 106.86 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -134.69 165.2 25.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.48 163.38 25.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.99 106.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.58 61.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -77.64 -33.04 53.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.45 161.98 36.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -83.77 -37.86 22.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 117.01 0.68 19.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 29' ' ' LEU . 13.0 p90 -145.72 170.85 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.03 172.87 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.912 HD11 HD12 ' A' ' 70' ' ' ILE . 4.4 mt -99.61 156.24 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -142.19 150.97 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.551 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 82.63 177.54 51.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -179.89 178.89 48.77 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -68.48 -44.0 75.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -72.79 -23.95 60.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.0 mp -76.85 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.21 -38.87 92.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 7.3 p30 -91.77 106.34 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -58.31 -45.85 87.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -82.02 136.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -79.53 140.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.858 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.4 p -125.74 169.1 12.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.37 101.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.2 t-160 -54.51 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -149.29 154.89 39.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 56' ' ' SER . 16.5 t -120.86 96.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.5 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.69 9.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -117.28 86.33 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.24 -174.54 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 23' ' ' LYS . 8.3 mt -89.94 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -47.26 -25.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.444 ' CB ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -88.52 -35.43 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -74.33 -41.85 60.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.01 -49.6 75.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.65 72.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.463 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -84.5 -48.04 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -90.55 91.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 35.5 mt-30 -105.75 132.21 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -42.17 134.4 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.66 -23.01 37.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 13.2 m120 -60.33 165.77 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.858 ' HA ' HG22 ' A' ' 45' ' ' THR . 5.3 tt0 -102.43 119.4 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -85.55 122.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.1 mt -89.15 -50.33 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -157.01 166.71 32.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.912 HD12 HD11 ' A' ' 33' ' ' LEU . 31.7 mt -145.79 123.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t-20 82.25 -2.4 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.94 6.87 42.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -103.85 110.65 22.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 153.36 40.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.2 mt -84.79 105.41 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 13.43 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.23 26.4 3.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.67 143.06 56.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.386 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.0 p -66.51 -167.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -75.39 -36.47 60.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' LEU . 7.6 t-80 -77.37 -66.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.798 ' CB ' HG22 ' A' ' 78' ' ' THR . 4.0 m-20 -40.66 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -85.38 -46.8 10.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -60.21 -44.33 95.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.64 -57.06 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -45.25 -43.58 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.791 ' C ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.53 -36.05 79.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.24 -26.84 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.2 mt-30 -84.02 -30.62 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.77 -8.29 55.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HA ' ' HZ1' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -97.39 -5.87 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 65.9 mt-10 -64.44 -42.87 69.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.98 174.03 13.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.87 -12.98 52.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.1 tt0 -133.42 149.0 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -137.5 151.18 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.5 t -120.91 126.09 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -134.58 127.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 16' ' ' ILE . 2.9 t -103.71 115.06 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 98' ' ' ILE . 24.4 p -136.01 151.41 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.709 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -126.88 161.31 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' HD23 ' A' ' 103' ' ' LEU . 14.5 tppt? -90.05 129.03 36.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -122.24 -87.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.1 p -39.46 159.2 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.4 33.46 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.94 167.32 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.41 -61.3 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.9 mtt -170.03 83.35 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.02 4.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.8 94.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -70.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.68 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -172.13 168.36 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -110.19 120.9 43.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.051 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 178.39 96.81 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.51 7.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.5 p -169.6 174.55 5.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.5 p -153.33 168.61 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.92 170.84 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -156.51 170.0 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.41 176.35 44.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.73 170.87 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.26 -61.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.26 173.34 49.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.94 168.16 26.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.5 m -154.1 135.33 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.87 140.59 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 153.95 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 3.3 tt0 -178.06 61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -172.93 152.41 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -46.78 164.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.67 55.65 4.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 4.3 mm -121.29 150.77 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -139.36 119.78 13.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.12 147.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.899 HG21 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -118.57 119.66 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG23 ' CD ' ' A' ' 95' ' ' GLN . 47.7 mm -117.89 108.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 19' ' ' THR . 3.7 mm? -112.2 130.46 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -101.17 100.64 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 pttp -115.4 -179.86 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.8 mt-10 -97.4 161.52 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 94' ' ' ARG . 2.6 mm-40 -43.45 120.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.35 35.25 43.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -78.25 -33.34 49.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.82 167.05 28.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 31' ' ' PHE . 12.4 mt -93.96 -47.45 6.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.24 -9.9 11.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -127.71 169.94 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -126.96 173.34 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.041 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 44' ' ' ILE . 6.1 mt -97.54 161.79 13.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.764 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -131.42 151.49 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' OD1' ' A' ' 41' ' ' ASN . . . 53.02 -163.68 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.16 -141.62 3.17 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -101.45 -53.11 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -80.02 -13.22 59.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 35' ' ' GLY . 8.9 mp -67.16 179.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.94 -34.61 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' OD1' ' HA3' ' A' ' 35' ' ' GLY . 2.3 p30 -109.97 171.53 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 9.9 tptp -113.9 -44.42 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.4 p -87.48 118.91 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.638 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.7 153.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -140.07 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 61' ' ' ILE . 34.8 t -75.97 96.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.7 t-160 -53.92 -57.37 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.66 159.08 43.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.21 97.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.8 m-30 -37.5 152.24 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.03 11.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.89 86.31 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.93 -169.47 24.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -91.96 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.03 -34.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -46.61 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -48.77 72.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 21' ' ' LEU . 2.4 tp10 -67.27 -57.21 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.2 5.58 58.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.742 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.7 m -74.59 -47.09 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.899 HD11 HG21 ' A' ' 19' ' ' THR . 11.3 mt -96.68 97.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.484 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 34.9 mt-30 -108.13 143.86 36.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -50.98 132.5 27.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.58 14.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 18.6 m120 -54.01 171.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 45' ' ' THR . 1.4 tt0 -107.7 127.27 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -100.27 114.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.7 mt -85.25 -47.45 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 p -147.84 166.62 27.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -144.33 121.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 79.36 -0.53 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.07 2.52 39.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -103.11 118.46 36.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.98 158.94 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.938 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.11 104.71 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 12.28 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.98 26.64 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.45 139.82 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 p -75.33 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.902 ' O ' HD22 ' A' ' 84' ' ' LEU . 42.2 t60 -63.38 -40.58 97.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.24 -59.13 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.878 ' HB3' HG22 ' A' ' 78' ' ' THR . 3.3 m-20 -49.67 -25.61 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.4 -53.6 5.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.902 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -50.09 -47.88 53.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.06 -58.24 9.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.82 -41.73 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -64.84 -34.57 78.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.9 ptt180 -70.25 -29.7 66.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.4 mt-30 -79.31 -30.76 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -71.29 -7.73 48.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.16 -9.7 32.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 73.5 mt-10 -61.44 -43.52 89.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.5 Cg_endo -74.93 175.23 11.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mpt_? -92.69 -11.66 33.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 7.6 tt0 -130.69 143.3 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' CB ' HD22 ' A' ' 29' ' ' LEU . . . -121.5 145.41 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ASN . 2.2 t -122.57 111.8 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.07 138.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.641 HG12 HD12 ' A' ' 68' ' ' LEU . 25.5 t -116.81 113.4 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 98' ' ' ILE . 73.4 p -131.23 157.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.701 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -97.56 160.83 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.22 102.69 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.87 144.21 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.474 ' OG1' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -82.71 166.89 33.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.474 ' HD2' ' OG1' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.98 142.91 28.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.12 165.05 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -115.56 -55.71 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.0 tpp 57.06 93.34 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 148.04 35.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.52 123.42 4.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 mp -42.77 -63.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.37 153.18 21.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.25 120.99 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.99 136.19 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -124.73 -167.83 12.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.66 41.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.15 149.03 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.6 m -49.03 167.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.9 142.93 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.803 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -121.93 112.43 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG22 ' CE1' ' A' ' 22' ' ' HIS . 21.4 mm -93.97 107.7 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.87 129.24 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.499 ' CE1' HG22 ' A' ' 20' ' ' ILE . 10.9 m-70 -108.36 103.88 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HZ2' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -132.66 -174.43 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.13 163.36 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.06 102.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.14 34.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . . . -97.78 -17.59 19.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 149.84 16.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' CD2' ' A' ' 87' ' ' LEU . 98.7 mt -76.63 -46.96 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 121.48 -11.96 9.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.559 ' HE1' HD13 ' A' ' 29' ' ' LEU . 11.4 p90 -131.48 169.09 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -123.55 164.83 18.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 70' ' ' ILE . 4.3 mt -93.69 156.3 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.892 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.84 151.18 42.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.534 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 85.56 176.34 50.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -176.21 -171.75 40.29 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -83.11 -45.3 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.52 -11.94 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.8 mp -88.46 -178.39 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.36 -26.01 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.4 p30 -100.36 96.73 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.498 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 2.1 tptp -56.71 -45.89 81.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 ' OE2' ' A' ' 66' ' ' GLU . 8.7 p -81.39 126.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -72.72 136.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.624 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.0 p -121.96 173.09 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG21 HG23 ' A' ' 61' ' ' ILE . 45.7 t -75.57 102.75 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.892 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 4.5 t60 -54.9 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.96 157.06 42.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' PHE . 11.8 t -124.11 95.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.5 m-30 -37.34 154.18 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.24 6.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -116.96 86.4 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.15 -174.96 26.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.19 -46.2 9.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.41 -53.84 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -60.49 -46.6 89.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.11 -53.28 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.97 -56.16 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 62' ' ' GLN . . . 97.21 7.21 57.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -86.14 -47.39 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 98' ' ' ILE . 21.3 mt -88.97 91.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' LYS . 64.2 mt-30 -106.91 133.31 51.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -37.38 132.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.05 -25.78 26.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.15 165.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.642 ' OE2' HG21 ' A' ' 43' ' ' VAL . 5.7 tt0 -102.89 121.76 43.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 70' ' ' ILE . 61.0 t -94.37 99.8 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 101' ' ' ARG . 2.5 mt -74.03 -46.74 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -154.49 164.16 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 33' ' ' LEU . 29.3 mt -142.54 115.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t-20 81.16 11.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.81 2.48 64.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 110.99 22.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -78.24 148.31 34.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.7 mt -82.5 104.11 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 12.72 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.01 26.78 2.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.771 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.93 144.37 49.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.382 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.7 p -69.74 -166.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.829 ' CD2' HD11 ' A' ' 84' ' ' LEU . 70.4 t60 -75.08 -45.09 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.586 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.2 t-160 -70.23 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.771 ' HB3' HG22 ' A' ' 78' ' ' THR . 9.1 m-20 -38.83 -30.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . -80.23 -54.23 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.6 mt -49.84 -48.34 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.81 -57.33 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.8 -35.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.77 -35.36 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.3 mtp180 -72.37 -14.04 61.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.74 -29.34 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.47 56.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.69 -8.67 28.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.9 mm-40 -63.36 -43.12 78.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -179.4 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -21.64 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 13.6 tt0 -122.63 151.56 41.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -138.9 142.46 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 20' ' ' ILE . 2.2 t -118.65 117.91 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -126.3 126.0 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 68' ' ' LEU . 14.5 t -102.86 113.72 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 66' ' ' GLU . 22.3 p -134.32 157.68 45.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.6 mtp180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.96 151.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 61' ' ' ILE . 1.1 m -131.45 102.4 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -96.28 107.61 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -93.01 127.06 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -99.14 104.3 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -141.3 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.07 172.35 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.3 mt-10 -57.14 103.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.89 42.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.6 -33.3 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.32 163.91 25.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 31' ' ' PHE . 2.1 mt -98.72 -47.13 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.39 -6.48 9.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.685 ' HD1' ' HB2' ' A' ' 55' ' ' ALA . 17.1 p90 -132.59 168.66 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.411 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -124.47 171.43 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 44' ' ' ILE . 3.5 mt -94.96 159.03 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -136.69 151.66 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -178.12 23.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -168.15 -159.03 12.93 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -90.82 -42.98 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.24 -15.96 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 39' ' ' LEU . 2.2 mp -84.97 -174.9 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.77 -31.34 46.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-20 -88.71 82.66 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 9.4 tptt -52.36 -27.18 14.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' OE2' ' A' ' 66' ' ' GLU . 4.5 p -101.89 118.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -64.12 142.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.26 172.33 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.4 t -75.57 99.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.812 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.5 t-160 -55.91 -61.47 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 162.29 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' PHE . 13.2 t -130.6 95.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.3 m-30 -36.84 153.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.98 86.19 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.29 -172.08 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 23' ' ' LYS . 2.2 mt -93.5 -44.01 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -41.34 -34.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -43.43 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -41.48 -52.1 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -60.03 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 3.8 57.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -88.38 -45.35 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.633 HD11 HG21 ' A' ' 19' ' ' THR . 5.4 mt -83.6 96.16 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 42.6 mt-30 -112.66 136.82 51.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -49.52 115.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -14.96 9.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 27.2 m120 -71.82 170.02 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.672 ' HA ' HG22 ' A' ' 45' ' ' THR . 20.1 tt0 -103.63 118.68 37.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 70' ' ' ILE . 85.8 t -90.24 102.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.617 HD11 ' HD2' ' A' ' 101' ' ' ARG . 4.3 mt -70.02 -51.11 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -150.26 166.85 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 33' ' ' LEU . 24.9 mt -142.08 119.74 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 74.19 9.66 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.81 2.68 58.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.87 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.62 146.97 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.5 mt -83.63 97.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.65 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 27.21 2.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.54 144.26 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -74.03 152.5 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.909 ' CD2' HD11 ' A' ' 84' ' ' LEU . 78.0 t60 -40.06 -47.04 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.613 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.843 ' HA ' HD12 ' A' ' 84' ' ' LEU . 10.5 t-160 -68.67 -61.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 53.2 m-20 -43.3 -27.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.43 -51.72 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.909 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.2 mt -48.55 -48.78 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.02 -55.88 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.18 -36.55 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.42 -36.54 71.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.533 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -75.17 -9.71 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.3 mt-30 -97.25 -30.07 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.69 -8.14 52.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -12.28 23.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.9 mm-40 -59.19 -43.29 96.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 178.31 7.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -92.47 5.19 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.2 tt0 -145.76 154.12 41.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.04 140.04 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 114.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 100' ' ' THR . 4.4 mp -124.77 117.58 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.585 HG12 HD12 ' A' ' 68' ' ' LEU . 21.7 t -97.66 113.9 33.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 98' ' ' ILE . 27.6 p -135.48 151.37 50.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 97' ' ' VAL . 2.5 p -101.8 152.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -120.16 130.73 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 22' ' ' HIS . 20.2 mm -95.41 108.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -91.61 129.55 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.471 ' CE1' HG22 ' A' ' 20' ' ' ILE . 15.3 m-70 -109.07 107.5 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -137.0 170.0 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -83.23 169.89 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 34.28 59.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -80.38 -32.71 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 163.22 29.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD2' ' HE3' ' A' ' 23' ' ' LYS . 4.2 mt -92.89 -41.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.74 -9.66 12.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 9.7 p90 -132.33 169.28 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -124.26 170.52 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.972 HD11 HD12 ' A' ' 70' ' ' ILE . 3.2 mt -95.88 156.79 16.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.875 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.27 151.04 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.91 179.32 52.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 175.92 173.99 42.08 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.02 -44.89 75.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -73.6 -23.51 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.0 mp -79.6 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.54 -31.73 42.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -93.94 101.85 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -59.11 -44.87 92.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.506 HG21 ' CD ' ' A' ' 66' ' ' GLU . 7.1 p -89.05 119.37 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -62.52 139.76 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -129.65 171.0 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.3 t -73.43 101.03 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.875 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 7.7 t-160 -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.41 151.66 30.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 56' ' ' SER . 12.5 t -115.54 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -38.67 154.19 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.73 8.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -116.67 86.41 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.15 -170.67 25.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -94.98 -49.05 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.21 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' HB2' HG12 ' A' ' 49' ' ' VAL . 1.3 t -76.48 -39.27 53.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -65.4 -44.87 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 23.1 mm-40 -58.29 -47.34 83.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.6 -0.9 87.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -81.66 -48.07 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.637 HD11 HD13 ' A' ' 98' ' ' ILE . 12.0 mt -90.59 91.45 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.3 mt-30 -106.77 128.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 130.59 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.96 -18.22 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 12.9 m120 -65.81 176.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.5 tt0 -111.21 124.79 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.6 t -93.88 120.04 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.1 mt -88.41 -49.41 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -158.67 160.49 36.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.972 HD12 HD11 ' A' ' 33' ' ' LEU . 40.0 mt -133.83 118.09 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.51 12.13 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -6.58 52.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.89 107.29 6.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -82.15 140.73 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.1 mt -84.85 91.12 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 14.59 9.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.6 26.97 2.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.886 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -68.07 149.05 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.374 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.3 p -77.93 166.54 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t-160 -52.65 -39.45 61.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -70.79 -58.77 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.886 ' CB ' HG22 ' A' ' 78' ' ' THR . 33.7 m-20 -56.0 -21.83 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -97.58 -25.58 15.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.9 -49.84 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.09 -52.39 65.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.94 -37.26 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.82 -36.26 80.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.626 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.7 mtp180 -70.84 -11.82 61.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 18.8 mt-30 -97.87 -31.0 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.76 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.82 -9.34 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.8 mm-40 -58.54 -43.14 97.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.03 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 2.0 mtt180 -107.39 -6.63 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 18.7 tt0 -135.1 157.09 47.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.24 144.83 31.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 18' ' ' VAL . 2.2 t -118.77 117.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.637 HD13 HD11 ' A' ' 61' ' ' ILE . 2.9 mp -125.25 112.51 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.409 HG22 ' HB ' ' A' ' 18' ' ' VAL . 5.1 t -93.21 117.69 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.2 p -138.28 154.57 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.593 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.12 150.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.654 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -133.01 109.19 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.655 HD13 HG22 ' A' ' 97' ' ' VAL . 16.5 mm -88.22 109.23 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.27 123.25 36.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -101.0 105.48 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.33 170.44 16.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -86.67 168.46 13.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.5 102.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.04 36.29 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -79.62 -33.31 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.46 166.12 35.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 5.5 mt -93.49 -45.69 7.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.763 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 120.52 -6.66 11.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.5 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 23.2 p90 -131.39 167.03 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.434 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.9 t -118.95 168.53 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 70' ' ' ILE . 4.2 mt -97.9 159.09 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.936 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -146.46 145.69 30.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' HD23 ' A' ' 39' ' ' LEU . . . 88.91 -175.57 43.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.672 ' N ' HD23 ' A' ' 39' ' ' LEU . . . 159.36 -179.82 34.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.86 -23.02 33.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 39' ' ' LEU . 5.9 t70 -72.29 -21.14 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.715 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -104.89 -148.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -97.86 -32.9 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -81.86 91.73 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.56 -44.82 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.686 HG21 ' OE2' ' A' ' 66' ' ' GLU . 15.0 p -83.79 132.69 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.574 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.9 mp -79.03 141.95 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -127.37 171.65 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG21 HG23 ' A' ' 61' ' ' ILE . 34.0 t -77.17 100.96 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.936 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 2.6 t-160 -55.11 -61.08 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.561 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 157.47 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' HB2' ' A' ' 56' ' ' SER . 18.2 t -125.58 95.84 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.8 m-30 -37.67 154.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.41 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -115.32 86.58 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.49 -170.21 21.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -95.35 -45.82 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -50.64 -44.32 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.709 ' HB2' HG12 ' A' ' 49' ' ' VAL . 23.2 t -69.68 -44.41 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -48.21 68.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HG2' HG23 ' A' ' 19' ' ' THR . 6.7 tp10 -58.36 -40.09 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.86 89.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.654 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -86.1 -46.97 9.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -90.44 96.92 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -110.64 131.25 55.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -38.3 133.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.53 -14.16 64.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.34 171.81 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.792 ' O ' HG22 ' A' ' 100' ' ' THR . 2.5 tp10 -102.77 132.58 48.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 70' ' ' ILE . 67.4 t -105.34 89.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 99' ' ' VAL . 1.9 mt -61.51 -49.71 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 p -150.39 168.74 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 33' ' ' LEU . 1.8 mt -144.93 118.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER 81.98 1.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.32 49.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -107.0 116.32 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 155.36 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.5 mt -89.52 111.14 21.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 12.19 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.42 26.29 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.823 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -50.74 144.92 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 5.0 p -72.73 172.73 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HD21 ' A' ' 39' ' ' LEU . 36.1 t60 -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 t-160 -71.51 -60.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.542 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.823 ' HB3' HG22 ' A' ' 78' ' ' THR . 85.4 m-20 -41.27 -29.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.33 -61.04 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 81' ' ' HIS . 4.0 mt -42.84 -43.36 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.93 -55.15 37.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -45.29 -50.59 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -56.7 -32.84 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -73.88 -27.49 61.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 4.9 mt-30 -85.11 -27.78 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.5 -7.77 55.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 -5.25 34.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 43.9 mt-10 -71.22 -43.26 12.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.05 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.56 -8.57 26.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.503 ' NE2' HD12 ' A' ' 20' ' ' ILE . 2.5 tt0 -130.67 146.22 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.08 134.93 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 HD13 ' A' ' 20' ' ' ILE . 2.1 t -115.44 116.64 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 61' ' ' ILE . 3.0 mp -124.95 122.77 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.435 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.0 t -100.28 113.65 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 66' ' ' GLU . 42.8 p -137.18 165.86 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 t60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.84 140.78 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' HG2' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -129.88 126.75 38.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 97' ' ' VAL . 34.7 mm -102.48 108.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -88.83 126.79 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.04 105.22 15.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HE3' ' HB2' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -138.59 175.37 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.7 166.39 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.1 mt-10 -56.9 103.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.01 27.89 30.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -83.69 -32.82 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.38 162.91 38.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 1.8 mt -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 117.6 -3.66 17.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 22.7 p90 -137.25 167.98 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.44 177.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.797 HD11 HD12 ' A' ' 70' ' ' ILE . 5.1 mt -100.78 157.6 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.69 149.83 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 80.8 177.4 51.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.655 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -172.99 -165.75 30.44 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.65 -41.66 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.8 -18.63 61.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 39' ' ' LEU . 5.1 mp -82.25 -176.3 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.56 -35.24 34.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -88.4 87.45 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 6.6 tppt? -53.1 -30.76 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 p -93.82 113.78 29.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.655 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.8 mp -60.94 140.96 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.9 p -126.94 176.32 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CG2' ' A' ' 61' ' ' ILE . 58.4 t -77.94 103.79 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.6 t-160 -57.93 -61.15 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.73 155.77 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -123.49 97.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -39.82 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.84 7.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -116.61 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.36 -172.9 26.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -90.74 -46.29 8.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -46.57 -34.37 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 -42.16 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.68 -47.71 81.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HG2' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -63.9 -42.05 97.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.44 13.39 83.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -90.05 -48.75 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 10.7 mt -90.54 98.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -115.12 131.4 56.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.42 120.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.42 -22.14 11.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 167.98 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.663 ' HA ' HG22 ' A' ' 45' ' ' THR . 9.2 tt0 -104.92 114.17 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.62 105.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.65 -48.43 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -155.17 165.25 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 33' ' ' LEU . 39.6 mt -142.34 123.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.2 t-20 77.27 1.33 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.15 49.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -100.43 113.62 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.09 149.53 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.63 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.3 mt -83.07 104.39 13.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 13.41 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.85 26.31 3.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.37 146.41 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.398 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 1.2 p -74.17 157.46 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.948 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.0 t60 -43.97 -49.23 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.633 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.796 ' HA ' HD12 ' A' ' 84' ' ' LEU . 20.5 t-160 -67.31 -61.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.831 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.2 m-20 -43.37 -28.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -51.3 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.8 mt -51.51 -47.75 63.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.93 -55.02 33.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.64 -35.04 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.731 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.52 -36.12 68.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.6 mtt180 -73.63 -10.09 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.78 -26.64 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.41 -7.39 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -8.21 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 56.4 mt-10 -64.84 -43.63 69.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 176.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -91.64 -2.77 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' NE2' HD12 ' A' ' 20' ' ' ILE . 4.1 tt0 -132.84 146.1 51.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.654 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.45 134.57 35.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.91 121.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -129.41 117.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.11 114.94 35.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -138.6 159.91 40.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.2 t60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -79.87 145.83 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.86 120.37 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 97' ' ' VAL . 26.5 mm -98.62 107.73 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -95.69 122.14 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -99.96 110.78 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.635 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -139.66 -175.96 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.9 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.45 169.41 11.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 4.9 mt-10 -69.25 100.74 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.74 4.13 59.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.9 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.86 -33.3 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.85 164.58 37.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' PHE . 2.4 mt -87.84 -39.37 14.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.38 -2.69 16.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 29' ' ' LEU . 19.7 p90 -138.3 168.03 20.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -121.74 176.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -100.87 157.79 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.58 151.54 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 84.49 175.89 50.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.68 -177.28 41.24 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -79.59 -48.2 14.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -72.73 -7.44 50.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -91.7 -167.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.97 -22.39 25.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.63 86.92 3.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HE3' ' HB1' ' A' ' 37' ' ' ALA . 9.6 tptm -52.35 -33.85 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.62 116.15 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -59.84 145.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.68 170.96 14.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 61' ' ' ILE . 41.1 t -72.59 101.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.878 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 13.3 t-160 -53.96 -60.98 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -151.09 157.81 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.93 99.78 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.8 m-30 -41.01 153.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.68 9.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -116.86 85.87 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.39 -178.0 33.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -86.21 -47.04 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' N ' HD21 ' A' ' 21' ' ' LEU . . . -48.41 -28.63 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -38.13 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.16 -45.77 90.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.05 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 9.22 82.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 -48.59 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.437 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 98' ' ' ILE . 11.8 mt -88.63 92.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -107.99 133.96 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -38.0 132.76 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -25.29 28.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.17 174.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.762 ' O ' HG22 ' A' ' 100' ' ' THR . 0.6 OUTLIER -106.17 122.59 46.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' LEU . 42.4 t -97.82 89.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.46 -48.77 78.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.0 p -147.98 168.02 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -137.63 113.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 76.88 9.47 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.73 -0.92 52.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -93.96 118.66 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.95 150.58 28.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.0 mt -84.61 106.27 16.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 13.16 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.84 26.41 3.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.852 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -58.83 142.43 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.444 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 p -72.12 -167.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.879 ' O ' HD22 ' A' ' 84' ' ' LEU . 36.0 t60 -72.33 -42.24 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.8 t-160 -75.83 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' ILE . 89.1 m-20 -42.88 -29.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.44 -56.18 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -45.1 -50.96 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.78 -53.49 57.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.42 -39.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.01 -34.56 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.4 mtt-85 -69.07 -17.53 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -87.57 -27.61 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.52 -6.53 57.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 -5.38 38.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 25.9 mt-10 -75.05 -44.59 4.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.03 175.56 11.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 3.9 mtp180 -91.91 -4.46 54.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 9.3 tt0 -135.68 148.61 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -141.88 125.75 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -100.71 116.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.781 HD13 HD11 ' A' ' 61' ' ' ILE . 1.5 mp -121.2 121.3 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.0 t -100.8 113.71 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 66' ' ' GLU . 41.3 p -136.38 176.37 8.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 p -76.38 141.49 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.84 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -123.25 112.31 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.655 ' CD1' HG22 ' A' ' 97' ' ' VAL . 38.6 mm -95.18 121.76 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 ' CD2' HG22 ' A' ' 19' ' ' THR . 1.8 mm? -109.55 128.06 54.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -142.3 172.28 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.3 167.8 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.03 102.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.91 28.98 27.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.04 -33.47 21.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.54 163.6 34.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -88.79 -46.94 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.01 -2.63 9.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 29' ' ' LEU . 18.1 p90 -137.8 168.99 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.3 176.07 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HD12 ' A' ' 70' ' ' ILE . 4.9 mt -102.03 157.45 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.871 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.94 151.46 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.19 174.6 45.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.549 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -170.03 -168.47 31.95 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.71 -46.19 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.49 -13.36 61.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.2 mp -83.57 -174.37 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.01 -34.45 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 9.1 p30 -94.84 95.88 8.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.487 ' NZ ' ' HB1' ' A' ' 37' ' ' ALA . 11.3 tptt -53.37 -45.12 69.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.2 p -82.05 124.25 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -67.87 145.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 66' ' ' GLU . 3.2 p -128.74 175.96 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 61' ' ' ILE . 57.5 t -79.54 106.3 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.871 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.0 t-160 -62.18 -61.5 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.62 151.66 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -120.3 95.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.9 m-30 -37.58 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.34 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.59 86.36 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.96 -175.1 30.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -89.69 -51.28 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.45 -27.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -82.36 -50.77 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -53.92 -45.19 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.09 -62.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.19 1.38 44.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.84 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.4 m -78.16 -45.62 22.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 98' ' ' ILE . 3.6 mt -95.23 97.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.6 mt-30 -115.43 127.71 55.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -43.07 110.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.93 -10.04 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 29.2 m120 -79.03 -175.1 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.675 ' OE2' HG21 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -114.99 131.22 56.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.236 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.42 112.92 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.623 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.8 mt -84.79 -47.54 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -152.66 166.11 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.617 HD12 HD11 ' A' ' 33' ' ' LEU . 6.5 mt -141.4 117.9 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 80.06 0.22 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.28 1.61 38.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 114.23 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.44 149.24 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.8 mt -83.0 107.61 15.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 12.17 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.682 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.907 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.78 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.373 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -72.49 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CD2' HD11 ' A' ' 84' ' ' LEU . 85.2 t60 -52.72 -40.67 63.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.69 -67.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.553 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.907 ' CB ' HG22 ' A' ' 78' ' ' THR . 80.5 m-20 -38.77 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -76.24 -55.57 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 80' ' ' HIS . 5.0 mt -46.35 -48.05 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.55 -57.37 12.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -38.56 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.907 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.2 -34.72 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.4 mtp180 -71.14 -18.01 62.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -86.96 -24.82 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.417 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -80.99 -6.9 59.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -100.09 -4.91 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.68 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.79 -39.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.17 -13.51 13.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 20' ' ' ILE . 1.9 tt0 -129.3 146.44 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.8 132.64 40.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -110.51 118.48 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.709 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.14 121.14 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 68' ' ' LEU . 17.0 t -103.02 114.66 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.535 HG23 HG22 ' A' ' 98' ' ' ILE . 68.1 p -135.82 159.24 42.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.623 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -73.74 149.23 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.853 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -133.43 102.73 5.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.486 HD13 HG22 ' A' ' 97' ' ' VAL . 18.7 mm -85.02 109.64 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -96.32 125.46 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CE1' HG22 ' A' ' 20' ' ' ILE . 5.0 m-70 -105.6 110.66 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.47 177.58 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -97.45 169.79 9.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 6.8 mm-40 -50.82 122.12 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 53.66 31.97 46.12 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -33.37 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.46 162.9 32.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 96' ' ' ALA . 1.9 mt -87.64 -47.46 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.561 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.3 -4.95 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 16.1 p90 -135.07 168.97 18.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.475 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.8 t -122.99 172.2 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 44' ' ' ILE . 2.3 mt -97.58 158.44 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -138.12 151.76 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.42 -166.95 14.22 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -160.09 -144.19 3.89 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.52 -41.06 6.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -93.04 -4.12 53.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.03 167.94 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -37.75 -36.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 43' ' ' VAL . 30.2 p-10 -106.35 150.11 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' NZ ' ' HA2' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -97.03 -29.4 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -102.58 124.16 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.64 121.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 21.5 p -101.85 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 HG23 ' A' ' 61' ' ' ILE . 33.8 t -79.86 101.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.696 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 17.2 t-160 -52.76 -61.06 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.51 158.27 43.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' PHE . 16.8 t -126.0 95.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -36.51 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.46 10.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -117.22 85.78 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.32 -168.72 22.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -94.81 -45.75 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.54 18.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -80.87 -42.08 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.41 -42.08 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 24.3 mm-40 -66.52 -46.2 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.86 -5.26 76.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.853 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.1 m -71.05 -48.33 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 98' ' ' ILE . 31.4 mt -86.86 90.86 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 47.0 mt-30 -98.26 139.79 33.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.21 128.7 25.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.01 14.95 53.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 45' ' ' THR . 1.4 m120 -86.2 176.68 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.52 94.8 5.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.759 HG11 HD11 ' A' ' 70' ' ' ILE . 30.0 t -72.31 108.96 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 99' ' ' VAL . 5.8 mt -76.53 -52.71 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 p -147.95 156.28 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.759 HD11 HG11 ' A' ' 67' ' ' VAL . 8.5 mt -134.28 128.56 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t-20 64.82 13.02 8.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 -1.44 61.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -86.78 117.49 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -86.33 145.65 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 67' ' ' VAL . 4.3 mt -84.0 97.15 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 14.27 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA2' ' NZ ' ' A' ' 42' ' ' LYS . . . 118.71 26.21 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.819 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.68 138.46 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 44.3 p -72.43 -167.41 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.894 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.4 t60 -71.86 -35.26 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.7 t-160 -77.78 -69.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.819 ' HB3' HG22 ' A' ' 78' ' ' THR . 31.6 m-20 -39.51 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -77.9 -54.81 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.2 -53.34 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -54.52 -54.73 37.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -46.02 -38.72 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.783 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.68 -36.59 76.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.9 mtt85 -71.51 -11.26 60.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 71' ' ' ASN . . . -76.28 -7.58 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -98.33 -4.77 34.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 32.7 mt-10 -71.95 -43.63 10.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -108.62 -15.58 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.2 tt0 -124.08 148.73 46.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.529 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -128.93 137.56 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 20' ' ' ILE . 2.0 t -117.77 111.75 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.69 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -122.92 123.63 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.675 HG12 HD12 ' A' ' 68' ' ' LEU . 24.4 t -103.63 113.62 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 98' ' ' ILE . 79.0 p -133.52 158.61 42.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.88 151.69 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.692 HG22 HD21 ' A' ' 21' ' ' LEU . 11.9 m -126.35 116.43 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 97' ' ' VAL . 14.4 mm -115.58 107.65 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 58' ' ' GLU . 2.9 mm? -104.36 131.81 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -95.92 113.25 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.599 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.85 173.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -96.09 168.22 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.93 102.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.68 30.22 24.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.48 -32.85 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.54 164.48 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.2 -47.32 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 120.65 1.87 11.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.7 p90 -143.54 170.51 15.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 167.41 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 70' ' ' ILE . 5.5 mt -92.55 162.14 14.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.939 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -149.4 132.44 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' CA ' HD22 ' A' ' 39' ' ' LEU . . . 106.36 175.36 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . 168.98 160.25 16.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -56.55 -37.6 70.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.4 -23.69 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.541 HD22 ' CA ' ' A' ' 35' ' ' GLY . 6.9 mp -82.28 176.89 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.27 -37.57 83.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.6 m-20 -89.61 156.3 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -20.8 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 66' ' ' GLU . 1.5 t -97.31 113.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.626 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -66.18 115.65 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.4 p -104.2 164.59 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.541 HG21 HG23 ' A' ' 61' ' ' ILE . 40.9 t -71.11 103.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.939 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 16.2 t-160 -52.82 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 155.89 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 61' ' ' ILE . 12.1 t -121.49 96.28 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' GLY . 5.9 m-30 -36.32 151.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.28 12.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -116.95 85.2 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -164.73 18.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -93.2 -57.3 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.18 -27.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -40.47 55.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.1 mt-30 -66.93 -55.47 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.78 ' OE1' HD11 ' A' ' 21' ' ' LEU . 17.4 pt-20 -58.26 -40.79 82.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . 74.69 0.86 60.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 m -68.96 -44.17 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.541 HG23 HG21 ' A' ' 46' ' ' VAL . 42.3 mt -92.09 90.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 67.0 mt-30 -97.76 143.39 28.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -51.99 128.5 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.58 13.98 48.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 5.8 m120 -94.04 129.3 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' HG13 ' A' ' 43' ' ' VAL . 16.2 tt0 -64.79 108.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.577 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -81.03 86.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.6 mt -43.71 -62.03 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.4 p -151.0 175.01 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.898 HG22 ' OD1' ' A' ' 71' ' ' ASN . 13.8 mt -144.78 120.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.898 ' OD1' HG22 ' A' ' 70' ' ' ILE . 9.9 m120 73.5 4.51 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.72 5.59 47.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -91.17 106.48 18.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -75.48 138.93 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.626 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.0 mt -76.53 95.5 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 13.45 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.07 26.66 2.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.61 141.72 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -79.11 154.07 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.995 ' CD2' HD11 ' A' ' 84' ' ' LEU . 58.3 t60 -40.25 -43.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.3 t-160 -67.35 -59.35 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 4.8 m-20 -50.26 -24.93 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.15 -53.91 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.995 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.1 mt -45.58 -48.51 14.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.61 -56.32 23.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.11 -35.43 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.19 -34.69 71.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mtp85 -71.28 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.412 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 8.5 mt-30 -91.91 -26.57 18.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.3 -7.29 53.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -4.95 35.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -73.44 -44.57 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.01 -170.65 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -12.63 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.594 ' NE2' HD12 ' A' ' 20' ' ' ILE . 8.6 tt0 -130.62 145.44 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -121.83 141.17 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 20' ' ' ILE . 2.1 t -119.55 118.63 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.443 HG23 HG13 ' A' ' 67' ' ' VAL . 3.7 mp -135.21 121.98 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.76 113.76 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.433 HG23 HG22 ' A' ' 98' ' ' ILE . 82.5 p -132.17 157.13 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.1 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.72 148.13 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.828 HG22 HD21 ' A' ' 21' ' ' LEU . 3.9 m -125.26 103.1 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 ' CD ' ' A' ' 95' ' ' GLN . 18.4 mm -95.8 114.26 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 19' ' ' THR . 1.3 mm? -106.37 123.43 48.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.56 102.14 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -126.41 -174.51 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.91 152.87 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 10.3 pt-20 -53.66 102.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.39 26.32 16.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.98 -33.4 13.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.33 165.86 28.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 4.1 mt -94.33 -47.51 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.45 -5.9 14.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -136.0 170.09 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.792 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 33' ' ' LEU . 30.3 t -127.31 169.19 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.909 HD11 HD12 ' A' ' 70' ' ' ILE . 3.4 mt -94.88 158.18 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -139.3 151.09 46.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.23 176.1 27.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -162.2 -162.95 13.99 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -87.66 -45.75 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.89 -18.26 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.9 mp -81.56 -179.95 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.18 -38.02 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -85.38 85.87 7.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.0 tptp -53.18 -38.28 62.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG21 ' CD ' ' A' ' 66' ' ' GLU . 2.5 p -90.89 117.89 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.49 136.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -124.63 172.12 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.658 HG21 HG23 ' A' ' 61' ' ' ILE . 41.9 t -75.07 101.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.7 t-160 -55.36 -61.47 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 153.67 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -120.12 96.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -39.66 154.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.84 6.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -115.48 86.83 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.66 -171.86 25.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -50.4 5.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.5 -33.22 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -75.72 -46.81 28.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.89 -42.43 65.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.67 ' HG2' HG23 ' A' ' 19' ' ' THR . 4.5 tp10 -62.7 -56.17 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.65 -4.89 66.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.679 HG21 ' OG1' ' A' ' 19' ' ' THR . 2.3 m -78.37 -44.41 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.658 HG23 HG21 ' A' ' 46' ' ' VAL . 8.7 mt -86.68 96.52 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' LYS . 34.9 mt-30 -110.26 132.4 54.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -37.21 130.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.5 -27.55 19.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -46.46 161.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HA ' HG22 ' A' ' 45' ' ' THR . 7.6 tt0 -98.94 115.06 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HA ' HG22 ' A' ' 100' ' ' THR . 88.4 t -87.14 104.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.794 HD11 ' HD2' ' A' ' 101' ' ' ARG . 1.8 mt -74.34 -47.27 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.79 161.72 40.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.909 HD12 HD11 ' A' ' 33' ' ' LEU . 5.3 mt -135.69 121.89 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.1 6.52 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 -0.35 46.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -89.44 113.46 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 m -81.01 147.04 30.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.7 mt -84.23 97.71 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 13.74 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.13 26.7 2.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.848 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.02 142.89 50.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.405 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 p -72.86 175.26 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.442 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 84' ' ' LEU . 41.8 t60 -58.06 -45.21 87.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -72.35 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.848 ' HB3' HG22 ' A' ' 78' ' ' THR . 35.8 m-20 -42.91 -28.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.14 -59.6 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.746 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.3 mt -47.57 -42.25 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -63.91 -59.07 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.87 -36.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.71 -36.89 73.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.646 ' N ' HD13 ' A' ' 87' ' ' LEU . 42.1 mtt180 -65.97 -9.61 31.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 11.4 mt-30 -100.18 -26.52 13.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -8.45 30.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CG ' ' HG ' ' A' ' 29' ' ' LEU . 2.2 mtp85 -97.54 -4.55 37.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 28.8 mt-10 -69.7 -43.39 21.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -100.14 -3.4 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' CD ' HG23 ' A' ' 20' ' ' ILE . 3.6 tt0 -142.46 144.34 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.68 133.62 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.17 111.91 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -124.43 125.17 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.605 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -108.74 113.56 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 67' ' ' VAL . 68.6 p -131.96 160.33 36.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.794 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.06 151.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.923 HG22 HD21 ' A' ' 21' ' ' LEU . 6.9 m -121.39 110.52 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.649 HG23 ' OE1' ' A' ' 95' ' ' GLN . 27.5 mm -110.15 107.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HG22 ' A' ' 19' ' ' THR . 2.6 mm? -107.21 126.34 52.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -94.93 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -174.77 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 4.9 mt-10 -102.61 163.74 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.73 102.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.57 39.83 11.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -96.93 -27.86 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 91' ' ' ARG . . . 102.05 151.14 23.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.821 HD12 HD21 ' A' ' 87' ' ' LEU . 68.4 mt -81.8 -47.26 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.41 -12.26 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 29' ' ' LEU . 10.7 p90 -131.15 167.09 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.56 172.63 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 44' ' ' ILE . 4.5 mt -103.27 155.21 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.938 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -139.26 151.24 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 88.6 -179.73 46.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 172.48 170.42 36.26 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.83 -21.16 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.6 mp -86.53 -168.83 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.34 -25.46 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -96.26 99.93 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 25.2 mmtm -59.86 -46.13 90.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -88.09 118.22 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.624 HG21 HD13 ' A' ' 33' ' ' LEU . 1.5 mp -59.89 154.86 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.859 HG22 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -140.22 -179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 65' ' ' ASN . 11.1 t -83.52 99.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.938 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 t-160 -58.96 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 154.83 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 56' ' ' SER . 15.8 t -124.06 98.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m-30 -39.96 153.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.41 11.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -117.35 86.22 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.76 -169.97 23.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.0 -49.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.32 -35.46 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.689 ' HB2' HG12 ' A' ' 49' ' ' VAL . 36.9 t -77.59 -47.32 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -55.79 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.49 -42.49 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -5.84 82.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -63.7 -49.27 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 0.769 . . . . 0.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 19.7 mt -96.9 90.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 22.5 mt-30 -104.19 126.81 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 12.2 ttpt -39.08 106.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ASN . . . 140.08 -16.35 3.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.672 ' HB2' HG23 ' A' ' 46' ' ' VAL . 31.7 m120 -53.81 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.859 ' HA ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -115.8 -17.75 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' ' 45' ' ' THR . 6.3 t 45.79 93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 101' ' ' ARG . 1.2 mt -74.22 -49.59 22.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.9 p -156.45 178.36 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.915 HG22 ' OD1' ' A' ' 71' ' ' ASN . 36.1 mt -145.93 124.59 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.915 ' OD1' HG22 ' A' ' 70' ' ' ILE . 15.2 m120 70.47 7.12 6.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.79 55.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 106.19 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 126.45 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 44' ' ' ILE . 12.0 mt -68.4 101.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 13.79 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.64 26.81 2.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.849 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.7 143.36 42.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 6.6 p -76.44 160.27 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.877 ' CD2' HD11 ' A' ' 84' ' ' LEU . 56.9 t60 -45.58 -44.82 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.6 t-160 -67.86 -60.11 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.849 ' CB ' HG22 ' A' ' 78' ' ' THR . 21.6 m-20 -46.74 -27.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.33 -54.79 4.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.6 mt -49.27 -46.11 45.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.84 -57.18 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.52 -33.94 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.821 HD21 HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.02 -34.33 66.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.1 mtt180 -70.74 -18.32 62.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 12.7 mt-30 -87.02 -30.46 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.75 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' NH1' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -98.19 -4.77 34.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.61 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -71.45 -44.85 13.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -22.74 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.649 ' OE1' HG23 ' A' ' 20' ' ' ILE . 9.0 tt0 -124.78 147.46 48.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -126.58 142.14 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.52 115.55 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.54 121.13 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.0 125.14 44.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 7.2 p -144.53 143.66 30.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.403 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.96 137.31 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.778 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.7 m -114.18 104.26 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 22' ' ' HIS . 21.9 mm -91.96 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -98.0 132.31 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CE1' HG22 ' A' ' 20' ' ' ILE . 3.9 m-70 -111.16 103.27 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.579 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -129.96 -174.9 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -87.54 169.55 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.0 mt-10 -67.61 101.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.89 10.28 64.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.07 158.55 26.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.518 HD23 ' HE2' ' A' ' 23' ' ' LYS . 5.6 mt -84.24 -47.55 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.7 -5.59 9.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -137.23 167.34 21.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -121.77 163.46 19.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.798 HD11 HD12 ' A' ' 70' ' ' ILE . 6.9 mt -92.58 158.97 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.43 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 176.23 50.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -173.91 -166.93 32.82 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.25 -45.62 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.59 -22.86 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.3 mp -79.14 178.02 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -40.68 71.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' GLY . 83.1 m-20 -83.11 94.97 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -56.24 -45.61 79.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG21 ' CD ' ' A' ' 66' ' ' GLU . 9.3 p -87.27 119.03 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.0 mp -60.15 141.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.0 p -127.56 173.11 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 61' ' ' ILE . 48.4 t -76.87 105.16 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.4 t-160 -59.82 -61.48 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.86 152.07 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.08 103.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.3 m-30 -45.18 154.72 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.54 8.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -116.02 86.12 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.1 -167.19 19.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -95.2 -53.68 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -41.8 -29.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.57 -45.8 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.9 mt-30 -58.21 -45.36 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -62.4 -59.3 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 13.23 35.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.778 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -91.71 -48.82 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.43 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 mt -92.55 99.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 60.7 mt-30 -117.25 126.35 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -42.13 108.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 129.42 -12.08 6.03 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 33.8 m120 -78.94 -177.04 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG21 ' A' ' 43' ' ' VAL . 1.3 tt0 -114.97 127.44 55.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.58 ' HA ' HG22 ' A' ' 100' ' ' THR . 59.3 t -95.73 117.92 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 101' ' ' ARG . 3.5 mt -87.77 -48.51 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -157.09 165.81 35.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.798 HD12 HD11 ' A' ' 33' ' ' LEU . 39.7 mt -142.64 131.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 64.92 12.58 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.84 6.58 63.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -92.25 106.67 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.45 135.7 42.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.4 mt -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 13.22 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.1 26.28 3.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.91 144.36 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.43 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -73.95 172.76 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.789 ' CD2' HD11 ' A' ' 84' ' ' LEU . 45.1 t60 -56.43 -45.53 80.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.3 t60 -71.1 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.829 ' HB3' HG22 ' A' ' 78' ' ' THR . 84.7 m-20 -45.24 -26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -84.41 -61.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.789 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.4 mt -42.39 -45.6 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.52 -57.05 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.55 -39.52 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.39 -35.88 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' N ' HD13 ' A' ' 87' ' ' LEU . 6.4 mtp85 -72.84 -16.13 61.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.64 -28.65 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.56 -7.89 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -9.4 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -65.6 -43.99 63.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.0 -178.34 4.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -92.73 -17.68 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.3 tt0 -128.91 147.0 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.52 147.03 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.61 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.517 HG22 HG23 ' A' ' 100' ' ' THR . 3.6 mp -126.36 129.89 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 68' ' ' LEU . 3.3 t -111.56 113.62 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 67' ' ' VAL . 82.7 p -135.0 150.53 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.624 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.2 t60 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -87.74 136.79 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.901 ' OG1' HG21 ' A' ' 60' ' ' THR . 3.0 m -120.41 111.59 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 97' ' ' VAL . 27.2 mm -95.75 115.15 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -102.08 126.86 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -98.79 107.29 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -133.65 176.58 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -97.85 170.51 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.24 114.56 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.87 29.05 72.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 -33.23 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.04 163.91 32.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -87.32 -46.86 9.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.94 -4.99 8.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 29' ' ' LEU . 11.7 p90 -137.28 168.83 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.493 ' C ' HD23 ' A' ' 33' ' ' LEU . 81.0 p -120.33 177.57 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 44' ' ' ILE . 5.0 mt -103.38 160.38 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.78 151.53 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.83 175.7 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -167.51 -168.41 29.63 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -81.47 -43.1 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.3 mp -78.44 -175.34 4.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.68 -33.5 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -88.16 88.61 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.33 -44.31 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.44 120.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.607 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -60.56 152.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -138.48 175.92 9.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CG2' ' A' ' 61' ' ' ILE . 45.6 t -82.43 96.58 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 10.9 t-160 -54.49 -60.92 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -145.86 157.1 43.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 t -123.54 96.05 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -38.8 152.08 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.77 9.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -116.26 86.09 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.04 -165.57 19.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.8 mt -95.84 -45.81 6.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.7 -19.15 15.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.54 -19.53 19.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -35.47 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -63.16 -64.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.06 8.01 34.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.901 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -94.46 -48.79 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.554 ' CG2' HG21 ' A' ' 46' ' ' VAL . 10.2 mt -89.36 98.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.09 131.97 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.2 ttpp -47.29 114.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.15 -10.14 10.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -74.96 -176.98 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 45' ' ' THR . 14.4 tt0 -115.19 116.75 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.55 118.53 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.6 mt -86.92 -50.2 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 p -148.74 167.56 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -142.41 119.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER 78.27 0.36 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.71 1.27 36.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 116.84 30.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.84 150.79 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.586 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.2 mt -83.26 103.51 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 13.02 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.84 26.49 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.879 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -57.28 140.05 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -71.98 162.59 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.7 t60 -48.98 -32.01 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -81.75 -60.76 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.879 ' HB3' HG22 ' A' ' 78' ' ' THR . 7.5 m-20 -46.0 -27.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.73 -53.11 7.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -49.32 -52.45 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.8 -52.91 63.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.41 -39.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.749 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.5 -32.93 73.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mtt-85 -72.69 -12.84 61.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -94.04 -32.3 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.08 -8.76 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 6.8 mtt180 -98.04 -9.79 25.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -62.27 -43.03 84.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.03 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.6 mpt_? -107.58 -19.19 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.03 146.32 46.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -126.74 134.55 50.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -114.41 119.45 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.53 ' CD1' HD23 ' A' ' 21' ' ' LEU . 4.0 mp -128.05 126.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 68' ' ' LEU . 21.3 t -107.73 120.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -139.3 163.39 32.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -70.92 153.16 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 HG22 HD21 ' A' ' 21' ' ' LEU . 2.0 m -135.1 114.08 12.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.531 ' O ' HD13 ' A' ' 21' ' ' LEU . 33.3 mm -97.47 126.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.2 mm? -116.32 121.54 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -84.43 111.37 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.832 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.7 pttp -135.89 -173.72 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' H ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 mt-10 -117.63 166.81 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 102.93 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.08 31.52 17.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' H ' ' A' ' 24' ' ' GLU . . . -97.94 -30.77 12.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.2 33.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -80.99 -46.84 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.41 -2.7 8.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 29' ' ' LEU . 12.1 p90 -139.78 175.93 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -129.01 172.84 10.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.816 HD13 HG21 ' A' ' 44' ' ' ILE . 6.4 mt -99.16 161.59 13.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.28 151.53 40.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 65.0 -171.12 23.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -175.27 -150.26 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.03 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.44 -18.68 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' HA2' ' A' ' 35' ' ' GLY . 6.4 mp -83.5 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.37 -33.99 42.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLY . 78.3 m-20 -86.97 87.37 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -53.82 -20.36 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -105.66 123.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.816 HG21 HD13 ' A' ' 33' ' ' LEU . 1.9 mp -65.92 110.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -96.53 170.0 9.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CG2' ' A' ' 61' ' ' ILE . 46.7 t -79.86 104.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.773 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 18.9 t-160 -55.79 -61.45 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 109.646 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 56' ' ' SER . 21.8 t -126.41 94.54 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.6 m-30 -37.51 153.12 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.29 9.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -117.16 86.19 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.45 -164.07 15.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -96.01 -55.53 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.79 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.671 ' HB2' HG12 ' A' ' 49' ' ' VAL . 29.3 t -74.42 -51.27 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.57 -34.8 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HG3' HG23 ' A' ' 19' ' ' THR . 3.9 mm-40 -70.14 -59.32 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.85 -2.93 58.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -83.48 -44.22 14.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.57 ' CG2' HG21 ' A' ' 46' ' ' VAL . 17.8 mt -87.96 90.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . 54.3 mt-30 -103.15 132.27 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.4 ttpp -44.32 111.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.59 16.17 6.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 62' ' ' GLN . 28.0 m120 -108.84 139.65 43.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.672 ' CD ' HG12 ' A' ' 43' ' ' VAL . 4.5 tp10 -67.95 131.09 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 70' ' ' ILE . 89.4 t -100.16 86.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 99' ' ' VAL . 11.2 mt -43.13 -62.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -146.08 171.38 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.805 HD11 HG11 ' A' ' 67' ' ' VAL . 46.3 mt -142.49 123.19 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.31 5.72 5.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.53 6.32 53.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.425 1.078 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -99.17 111.84 24.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 150.49 39.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.747 HD11 ' O ' ' A' ' 67' ' ' VAL . 5.1 mt -84.24 102.44 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.37 11.49 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.54 27.01 3.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.76 143.15 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.38 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 p -75.48 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.859 ' CD2' HD11 ' A' ' 84' ' ' LEU . 72.2 t60 -49.9 -45.67 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.751 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.6 t-160 -69.3 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.886 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.2 m-20 -45.91 -26.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.45 -48.11 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.859 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.7 mt -50.55 -51.89 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.99 -52.4 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.886 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -70.66 -33.09 70.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' ALA . 83.6 mtt180 -69.73 -13.51 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 21.5 mt-30 -93.46 -31.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.01 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -98.4 -5.98 31.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 3.8 mm-40 -68.74 -43.31 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 173.46 14.48 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' LYS . 8.2 mtm-85 -91.54 6.95 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -143.8 144.57 31.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -118.0 130.84 56.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.15 115.3 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 21' ' ' LEU . 2.9 mp -130.36 129.98 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 68' ' ' LEU . 6.9 t -112.15 115.68 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 p -134.75 163.29 30.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -77.47 144.02 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.985 HG23 ' HG2' ' A' ' 58' ' ' GLU . 24.4 m -127.51 106.59 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.556 HG22 ' CE1' ' A' ' 22' ' ' HIS . 28.7 mm -97.26 108.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -92.56 133.2 36.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' HG22 ' A' ' 20' ' ' ILE . 5.6 m-70 -112.97 101.34 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -135.58 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.16 168.14 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.74 107.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.94 25.66 55.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.94 -33.29 30.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 163.2 35.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.6 mt -85.74 -47.2 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 125.45 -5.6 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 27.1 p90 -132.92 165.05 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 0.816 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 47' ' ' HIS . 7.3 m -117.74 166.64 12.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 70' ' ' ILE . 4.1 mt -94.17 159.42 15.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -147.57 151.27 36.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.632 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 89.08 -160.88 29.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 161.16 -177.67 37.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -76.37 -50.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.31 -24.2 61.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 35' ' ' GLY . 9.0 mp -72.51 176.56 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.43 -40.48 81.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -88.31 97.27 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -53.21 -46.0 68.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.929 HG21 ' OE2' ' A' ' 66' ' ' GLU . 7.1 p -88.18 124.07 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.679 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -60.7 152.42 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.2 p -138.64 172.36 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 61' ' ' ILE . 40.7 t -76.73 99.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -55.41 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -143.03 145.73 33.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 61.6 t -112.51 91.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.8 m-30 -38.29 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.8 14.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -115.26 84.59 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.82 -171.99 29.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 23' ' ' LYS . 17.7 mt -89.25 -50.85 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -40.4 -55.2 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -54.47 -41.27 69.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -69.45 -38.91 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.985 ' HG2' HG23 ' A' ' 19' ' ' THR . 23.8 tp10 -58.86 -57.87 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.03 59.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.667 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.3 m -95.2 -49.15 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -85.1 94.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -111.4 127.45 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -43.87 110.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.02 -11.68 7.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -75.01 177.85 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.929 ' OE2' HG21 ' A' ' 43' ' ' VAL . 6.3 tt0 -108.97 124.46 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG23 ' HA ' ' A' ' 45' ' ' THR . 51.6 t -94.99 122.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 99' ' ' VAL . 3.9 mt -90.91 -50.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -151.99 164.02 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.502 ' CD1' HD11 ' A' ' 33' ' ' LEU . 85.8 mt -138.66 121.06 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.41 9.24 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.22 47.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -82.98 110.77 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.53 137.97 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.6 mt -79.8 97.27 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 13.33 10.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.25 26.85 2.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.74 142.49 49.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.426 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.0 p -75.46 177.89 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.896 ' O ' HD22 ' A' ' 84' ' ' LEU . 35.1 t60 -59.39 -42.46 91.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' ALA . 7.9 t-160 -73.78 -63.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.86 ' HB3' HG22 ' A' ' 78' ' ' THR . 70.6 m-20 -43.9 -27.32 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.35 -58.36 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.896 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -43.74 -48.32 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -56.92 -56.83 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -45.43 -47.34 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.778 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.99 -29.0 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.6 mt-30 -78.27 -30.78 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.43 -7.5 47.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 3.0 mtt-85 -98.25 -5.99 32.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.6 mm-40 -69.97 -44.11 21.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.0 Cg_endo -75.07 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -109.31 -11.58 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.9 tt0 -136.15 150.5 49.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -138.13 144.83 41.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.5 119.76 62.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 3.6 mp -123.53 119.88 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -100.57 113.78 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.554 HG23 HG22 ' A' ' 98' ' ' ILE . 71.8 p -130.74 154.11 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.539 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.83 133.5 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.798 HG23 ' HG3' ' A' ' 58' ' ' GLU . 4.1 m -114.64 118.67 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 97' ' ' VAL . 25.9 mm -107.51 107.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.833 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.4 mm? -97.61 124.85 42.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -96.49 103.39 15.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.631 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -125.63 179.19 5.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -98.15 169.74 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.05 102.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.49 36.13 24.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.4 -33.09 14.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.89 165.26 27.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.85 -47.27 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 125.34 -1.57 8.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 29' ' ' LEU . 14.1 p90 -140.84 176.71 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -128.44 172.65 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.01 157.97 16.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.8 150.65 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 174.92 49.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.509 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.75 179.92 43.16 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -77.42 -41.17 40.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.62 -23.63 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.0 mp -81.75 -171.02 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.53 -30.59 33.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -87.57 88.15 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -52.6 -43.71 65.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.87 121.11 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -63.83 147.17 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.3 p -133.6 171.85 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 61' ' ' ILE . 47.5 t -75.17 101.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 4.5 t60 -57.25 -61.3 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -148.36 155.53 41.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 t -122.91 96.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.472 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.17 154.12 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.86 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.16 86.51 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.88 -167.16 19.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 21' ' ' LEU . 2.1 mt -92.73 -48.83 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.01 -37.82 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -34.77 65.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.85 -46.83 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.798 ' HG3' HG23 ' A' ' 19' ' ' THR . 1.4 mm-40 -66.05 -51.81 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.84 70.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.549 HG21 ' OG1' ' A' ' 19' ' ' THR . 3.9 m -68.11 -49.49 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 12.0 mt -86.32 94.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.6 mt-30 -111.05 123.93 51.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLN . 5.3 ttpp -40.16 111.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.37 -13.87 8.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -169.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 0.7 OUTLIER -118.21 121.21 39.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.32 92.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.584 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.0 mt -66.6 -47.91 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.8 p -146.43 170.81 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.18 121.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.3 t-20 68.38 9.2 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.39 8.27 50.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 120.57 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.43 151.15 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.4 mt -87.54 106.06 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 13.41 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.07 26.49 2.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.61 144.39 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -73.93 167.95 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.889 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.0 t60 -57.2 -26.11 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.405 ' C ' ' N ' ' A' ' 83' ' ' ALA . 10.1 t-160 -87.53 -61.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.897 ' O ' HD12 ' A' ' 86' ' ' ILE . 76.7 m-20 -46.63 -25.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.05 -53.46 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.76 -54.76 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.5 -52.65 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -46.76 -39.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.21 -35.28 76.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 35.4 mtt180 -72.26 -11.72 60.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 29.4 mt-30 -93.26 -29.02 15.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.49 -7.68 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -6.66 33.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 39.2 mt-10 -66.58 -43.35 50.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.06 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.83 -8.57 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.463 ' NE2' HD12 ' A' ' 20' ' ' ILE . 10.2 tt0 -129.03 144.7 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -122.82 130.41 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -112.8 110.99 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.547 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -123.63 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 t -114.39 113.4 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.523 HG23 HG22 ' A' ' 98' ' ' ILE . 82.8 p -134.26 142.58 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.584 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CD2' HG23 ' A' ' 60' ' ' THR . 31.1 p-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.44 152.82 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.8 OUTLIER -128.18 119.79 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.673 HD12 ' NE2' ' A' ' 95' ' ' GLN . 19.3 mm -96.41 107.61 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -89.92 127.24 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -101.87 108.06 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -142.02 -174.58 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -106.7 172.28 6.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.353 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mt-10 -65.58 103.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.37 28.98 23.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.09 -33.04 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.73 164.42 32.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 2.3 mt -91.28 -46.12 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.24 -6.49 10.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p90 -133.47 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.401 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -122.1 177.61 5.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 70' ' ' ILE . 7.8 mt -104.6 160.34 15.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.32 151.94 40.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.9 178.54 51.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -177.99 -173.14 43.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -75.4 -44.87 42.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.56 -24.03 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.8 mp -74.88 175.35 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.81 -41.15 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 12.4 p30 -88.31 107.82 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.74 HG21 ' OE2' ' A' ' 66' ' ' GLU . 11.6 p -83.57 129.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -70.0 153.87 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.671 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -138.85 172.68 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 61' ' ' ILE . 39.3 t -78.47 98.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.924 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 15.3 t-160 -53.71 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -146.8 158.88 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 22.3 t -127.94 97.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -37.78 153.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.5 5.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -116.1 86.36 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.22 -163.79 13.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -96.33 -51.5 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 31' ' ' PHE . . . -46.9 -25.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 54' ' ' LEU . 1.6 t -88.49 -45.88 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.8 -44.21 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -2.81 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 19' ' ' THR . 6.2 m -79.39 -48.83 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 98' ' ' ILE . 9.4 mt -88.76 91.82 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 36.7 mt-30 -105.6 129.33 53.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -44.81 116.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -12.45 12.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 11.8 m120 -70.4 176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.74 ' OE2' HG21 ' A' ' 43' ' ' VAL . 13.9 tt0 -109.95 117.88 34.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.68 105.67 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 101' ' ' ARG . 5.5 mt -76.01 -50.91 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -153.12 168.0 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.916 HG22 ' OD1' ' A' ' 71' ' ' ASN . 20.7 mt -139.21 120.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.916 ' OD1' HG22 ' A' ' 70' ' ' ILE . 0.9 OUTLIER 73.14 6.54 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.39 2.32 53.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 106.47 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.24 147.46 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.9 mt -83.23 105.36 14.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 13.27 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.58 26.55 3.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.84 142.23 41.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -76.45 159.83 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.923 ' CD2' HD11 ' A' ' 84' ' ' LEU . 75.5 t60 -45.05 -45.97 11.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.523 ' HA ' HD12 ' A' ' 84' ' ' LEU . 1.6 t-160 -67.56 -60.76 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.856 ' HB3' HG22 ' A' ' 78' ' ' THR . 29.3 m-20 -47.9 -25.35 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.42 -50.17 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.9 mt -51.97 -47.98 64.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.12 -56.8 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.45 -36.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.97 -33.09 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 54.7 mtp180 -72.54 -14.57 61.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.44 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 mt-30 -92.76 -28.31 16.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB1' HD21 ' A' ' 71' ' ' ASN . . . -72.23 -5.13 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -99.69 -3.67 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -75.7 -41.15 3.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.96 174.68 12.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -16.39 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.673 ' NE2' HD12 ' A' ' 20' ' ' ILE . 1.2 tm0? -129.04 148.51 51.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.2 132.14 39.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.05 122.7 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 61' ' ' ILE . 4.5 mp -128.86 120.47 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 HD12 ' A' ' 68' ' ' LEU . 14.0 t -99.18 113.91 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 98' ' ' ILE . 80.9 p -133.76 156.22 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.5 t60 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.47 143.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.889 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.1 m -123.75 110.53 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.666 HD13 ' CG2' ' A' ' 97' ' ' VAL . 16.6 mm -86.51 107.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -91.98 128.77 37.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' A' ' 20' ' ' ILE . 33.9 m-70 -106.24 106.17 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.625 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.8 pttp -135.15 -174.6 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 3.0 mt-10 -102.44 171.29 7.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.08 102.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.59 42.47 21.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -97.22 -20.33 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.49 135.44 7.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 96' ' ' ALA . 80.9 mt -64.65 -47.85 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.8 -9.43 9.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HE1' HD13 ' A' ' 29' ' ' LEU . 8.0 p90 -136.22 169.73 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -122.71 172.45 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.702 HD13 HG21 ' A' ' 44' ' ' ILE . 4.9 mt -100.65 156.2 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.933 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.95 132.87 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 167.99 21.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.98 147.57 8.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -54.25 -34.84 61.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.0 -23.34 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -86.77 179.46 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.66 -30.14 69.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.5 p30 -93.72 134.97 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -100.33 -17.13 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 45' ' ' THR . 1.4 t -101.03 114.06 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -70.12 113.61 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -104.13 166.11 10.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.434 HG21 HG23 ' A' ' 61' ' ' ILE . 48.7 t -68.93 101.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.933 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 5.3 t-160 -52.94 -61.44 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.43 153.88 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -117.82 93.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -37.68 153.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.76 9.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -116.41 85.69 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.71 -170.2 27.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.7 mt -91.71 -52.08 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -44.79 -30.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -50.6 12.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.25 -49.04 77.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 19' ' ' THR . 1.9 tp10 -58.28 -41.43 84.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.82 -1.11 63.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.889 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -78.04 -48.86 15.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 17.2 mt -81.12 90.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 77.8 mt-30 -100.83 138.39 37.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -48.72 131.61 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.31 -16.15 60.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 45' ' ' THR . 2.4 m120 -59.64 156.64 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 101' ' ' ARG . 2.3 tt0 -93.54 110.64 22.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.561 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -84.71 84.53 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 99' ' ' VAL . 1.8 mt -48.97 -52.98 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.42 170.22 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -133.93 105.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 82.82 -2.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -7.32 11.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 116.9 28.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 155.53 27.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD13 ' HB ' ' A' ' 44' ' ' ILE . 1.2 mt -91.23 102.62 15.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.38 14.43 8.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 119.12 27.62 2.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.817 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.13 144.86 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -72.32 -179.13 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.3 t60 -66.73 -35.64 80.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -81.12 -57.31 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.837 ' O ' HD12 ' A' ' 86' ' ' ILE . 81.2 m-20 -43.93 -29.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.99 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.691 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.74 -54.51 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.41 -55.22 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.863 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.62 -33.53 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ALA . 53.1 mtt180 -69.53 -14.17 62.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -91.18 -31.24 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.15 -7.61 50.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -97.94 -7.27 30.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.5 mm-40 -67.96 -43.81 38.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -167.95 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -104.46 -18.71 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 8.5 tt0 -126.72 149.86 49.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -140.48 140.49 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.666 ' CG2' HD13 ' A' ' 20' ' ' ILE . 2.1 t -116.89 115.53 49.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 4.2 mp -116.63 117.86 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.439 ' C ' HD12 ' A' ' 68' ' ' LEU . 3.1 t -95.49 117.45 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.51 ' CG2' HG22 ' A' ' 98' ' ' ILE . 9.2 p -141.75 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -84.22 150.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.492 HG22 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -130.49 128.57 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.739 ' CD1' HG22 ' A' ' 97' ' ' VAL . 11.6 mm -111.56 108.41 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -93.67 136.62 33.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CE1' HG22 ' A' ' 20' ' ' ILE . 14.3 m-70 -116.34 106.86 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -134.69 165.2 25.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.48 163.38 25.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.99 106.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.58 61.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -77.64 -33.04 53.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.45 161.98 36.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -83.77 -37.86 22.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 117.01 0.68 19.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 29' ' ' LEU . 13.0 p90 -145.72 170.85 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.03 172.87 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.912 HD11 HD12 ' A' ' 70' ' ' ILE . 4.4 mt -99.61 156.24 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -142.19 150.97 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.551 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 82.63 177.54 51.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.53 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -179.89 178.89 48.77 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -68.48 -44.0 75.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -72.79 -23.95 60.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.0 mp -76.85 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.21 -38.87 92.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 7.3 p30 -91.77 106.34 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -58.31 -45.85 87.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -82.02 136.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -79.53 140.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.858 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.4 p -125.74 169.1 12.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.37 101.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.2 t-160 -54.51 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -149.29 154.89 39.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 56' ' ' SER . 16.5 t -120.86 96.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.5 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.69 9.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -117.28 86.33 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.24 -174.54 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 23' ' ' LYS . 8.3 mt -89.94 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -47.26 -25.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.444 ' CB ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -88.52 -35.43 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -74.33 -41.85 60.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.01 -49.6 75.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.65 72.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.463 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -84.5 -48.04 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -90.55 91.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 35.5 mt-30 -105.75 132.21 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -42.17 134.4 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.66 -23.01 37.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 13.2 m120 -60.33 165.77 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.858 ' HA ' HG22 ' A' ' 45' ' ' THR . 5.3 tt0 -102.43 119.4 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -85.55 122.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.1 mt -89.15 -50.33 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -157.01 166.71 32.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.912 HD12 HD11 ' A' ' 33' ' ' LEU . 31.7 mt -145.79 123.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t-20 82.25 -2.4 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.94 6.87 42.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -103.85 110.65 22.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 153.36 40.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.2 mt -84.79 105.41 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 13.43 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.23 26.4 3.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.67 143.06 56.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.386 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.0 p -66.51 -167.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -75.39 -36.47 60.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.7 t-160 -77.37 -66.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.798 ' CB ' HG22 ' A' ' 78' ' ' THR . 4.0 m-20 -40.66 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -85.38 -46.8 10.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -60.21 -44.33 95.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.64 -57.06 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -45.25 -43.58 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.53 -36.05 79.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.24 -26.84 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.2 mt-30 -84.02 -30.62 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.77 -8.29 55.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HA ' ' HZ1' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -97.39 -5.87 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 65.9 mt-10 -64.44 -42.87 69.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.98 174.03 13.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.87 -12.98 52.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.1 tt0 -133.42 149.0 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -137.5 151.18 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.5 t -120.91 126.09 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -134.58 127.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.4 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.9 t -103.71 115.06 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 98' ' ' ILE . 24.4 p -136.01 151.41 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.709 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 t60 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.12 147.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.899 HG21 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -118.57 119.66 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.432 HG23 ' CD ' ' A' ' 95' ' ' GLN . 47.7 mm -117.89 108.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 19' ' ' THR . 3.7 mm? -112.2 130.46 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -101.17 100.64 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 pttp -115.4 -179.86 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.8 mt-10 -97.4 161.52 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 94' ' ' ARG . 2.6 mm-40 -43.45 120.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.35 35.25 43.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -78.25 -33.34 49.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.82 167.05 28.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 31' ' ' PHE . 12.4 mt -93.96 -47.45 6.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.24 -9.9 11.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -127.71 169.94 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -126.96 173.34 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.041 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 44' ' ' ILE . 6.1 mt -97.54 161.79 13.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.764 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -131.42 151.49 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' OD1' ' A' ' 41' ' ' ASN . . . 53.02 -163.68 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.16 -141.62 3.17 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -101.45 -53.11 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -80.02 -13.22 59.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 35' ' ' GLY . 8.9 mp -67.16 179.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.94 -34.61 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.501 ' OD1' ' HA3' ' A' ' 35' ' ' GLY . 2.3 p30 -109.97 171.53 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 9.9 tptp -113.9 -44.42 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.4 p -87.48 118.91 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.638 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.7 153.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -140.07 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 61' ' ' ILE . 34.8 t -75.97 96.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.7 t-160 -53.92 -57.37 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.66 159.08 43.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.21 97.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.8 m-30 -37.5 152.24 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.03 11.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.89 86.31 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.93 -169.47 24.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -91.96 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.03 -34.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -46.61 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -48.77 72.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 21' ' ' LEU . 2.4 tp10 -67.27 -57.21 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.2 5.58 58.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.742 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.7 m -74.59 -47.09 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.899 HD11 HG21 ' A' ' 19' ' ' THR . 11.3 mt -96.68 97.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.484 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 34.9 mt-30 -108.13 143.86 36.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -50.98 132.5 27.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.58 14.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 18.6 m120 -54.01 171.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 45' ' ' THR . 1.4 tt0 -107.7 127.27 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -100.27 114.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.701 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.7 mt -85.25 -47.45 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 p -147.84 166.62 27.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -144.33 121.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 79.36 -0.53 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.07 2.52 39.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -103.11 118.46 36.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.98 158.94 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.938 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.11 104.71 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 12.28 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.98 26.64 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.45 139.82 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 p -75.33 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.902 ' O ' HD22 ' A' ' 84' ' ' LEU . 42.2 t60 -63.38 -40.58 97.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -74.24 -59.13 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.878 ' HB3' HG22 ' A' ' 78' ' ' THR . 3.3 m-20 -49.67 -25.61 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.4 -53.6 5.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.902 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -50.09 -47.88 53.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.06 -58.24 9.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.82 -41.73 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -64.84 -34.57 78.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.9 ptt180 -70.25 -29.7 66.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.4 mt-30 -79.31 -30.76 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -71.29 -7.73 48.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.16 -9.7 32.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 73.5 mt-10 -61.44 -43.52 89.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.5 Cg_endo -74.93 175.23 11.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mpt_? -92.69 -11.66 33.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 7.6 tt0 -130.69 143.3 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.443 ' CB ' HD22 ' A' ' 29' ' ' LEU . . . -121.5 145.41 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ASN . 2.2 t -122.57 111.8 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.07 138.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.641 HG12 HD12 ' A' ' 68' ' ' LEU . 25.5 t -116.81 113.4 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 98' ' ' ILE . 73.4 p -131.23 157.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.701 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -178.89 163.11 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -151.85 113.48 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.95 -178.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -160.34 -59.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.014 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.98 170.22 15.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.167 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.86 112.33 3.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.37 168.32 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 9' ' ' THR . 4.6 m -82.17 53.15 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -137.43 169.85 17.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.74 -69.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.24 76.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.87 120.01 12.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.64 167.85 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.14 47.06 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 5.0 mm -112.12 134.59 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -133.26 111.43 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.588 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.6 t -70.9 142.93 15.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.803 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -121.93 112.43 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.385 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG22 ' CE1' ' A' ' 22' ' ' HIS . 21.4 mm -93.97 107.7 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.87 129.24 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.499 ' CE1' HG22 ' A' ' 20' ' ' ILE . 10.9 m-70 -108.36 103.88 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.592 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HZ2' ' HG3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -132.66 -174.43 3.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.13 163.36 12.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.06 102.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.14 34.79 10.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . . . -97.78 -17.59 19.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.28 149.84 16.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' CD2' ' A' ' 87' ' ' LEU . 98.7 mt -76.63 -46.96 23.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.549 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 121.48 -11.96 9.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.559 ' HE1' HD13 ' A' ' 29' ' ' LEU . 11.4 p90 -131.48 169.09 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -123.55 164.83 18.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.919 HD11 HD12 ' A' ' 70' ' ' ILE . 4.3 mt -93.69 156.3 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.892 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.84 151.18 42.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.534 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 85.56 176.34 50.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -176.21 -171.75 40.29 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -83.11 -45.3 14.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.52 -11.94 60.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.8 mp -88.46 -178.39 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.36 -26.01 46.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.4 p30 -100.36 96.73 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.498 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 2.1 tptp -56.71 -45.89 81.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 ' OE2' ' A' ' 66' ' ' GLU . 8.7 p -81.39 126.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.486 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -72.72 136.25 25.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.624 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.0 p -121.96 173.09 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG21 HG23 ' A' ' 61' ' ' ILE . 45.7 t -75.57 102.75 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.892 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 4.5 t60 -54.9 -61.25 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.96 157.06 42.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' PHE . 11.8 t -124.11 95.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.5 m-30 -37.34 154.18 0.1 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -31.24 6.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -116.96 86.4 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.15 -174.96 26.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.19 -46.2 9.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.41 -53.84 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -60.49 -46.6 89.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.11 -53.28 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -58.97 -56.16 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' O ' ' NE2' ' A' ' 62' ' ' GLN . . . 97.21 7.21 57.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.803 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -86.14 -47.39 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD11 HD13 ' A' ' 98' ' ' ILE . 21.3 mt -88.97 91.42 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' LYS . 64.2 mt-30 -106.91 133.31 51.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' GLN . 1.0 OUTLIER -37.38 132.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.05 -25.78 26.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.15 165.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.642 ' OE2' HG21 ' A' ' 43' ' ' VAL . 5.7 tt0 -102.89 121.76 43.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.58 HG11 HD11 ' A' ' 70' ' ' ILE . 61.0 t -94.37 99.8 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 101' ' ' ARG . 2.5 mt -74.03 -46.74 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -154.49 164.16 39.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 33' ' ' LEU . 29.3 mt -142.54 115.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.5 t-20 81.16 11.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 93.81 2.48 64.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 110.99 22.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -78.24 148.31 34.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.7 mt -82.5 104.11 12.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 12.72 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.01 26.78 2.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.771 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.93 144.37 49.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 110.382 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.7 p -69.74 -166.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.829 ' CD2' HD11 ' A' ' 84' ' ' LEU . 70.4 t60 -75.08 -45.09 43.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.586 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.2 t-160 -70.23 -64.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.771 ' HB3' HG22 ' A' ' 78' ' ' THR . 9.1 m-20 -38.83 -30.55 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . -80.23 -54.23 5.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.829 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.6 mt -49.84 -48.34 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.81 -57.33 13.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.8 -35.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.723 ' CD2' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -70.77 -35.36 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.53 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.3 mtp180 -72.37 -14.04 61.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.74 -29.34 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.53 -8.47 56.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.69 -8.67 28.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.9 mm-40 -63.36 -43.12 78.56 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -179.4 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -21.64 21.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 13.6 tt0 -122.63 151.56 41.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.516 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -138.9 142.46 38.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 20' ' ' ILE . 2.2 t -118.65 117.91 56.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.531 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -126.3 126.0 68.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 68' ' ' LEU . 14.5 t -102.86 113.72 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 66' ' ' GLU . 22.3 p -134.32 157.68 45.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.605 ' HD2' HD11 ' A' ' 68' ' ' LEU . 5.6 mtp180 -106.08 158.75 16.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.93 102.36 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.8 mt -112.25 162.52 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.6 p -108.21 159.75 29.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.521 1.801 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -147.25 134.8 20.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 47.63 79.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 21.2 ptt? -46.74 127.41 8.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 170.86 19.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -97.41 100.02 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.17 57.62 4.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 t30 171.18 157.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -173.17 150.7 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 p -42.37 106.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -141.64 -168.05 11.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.26 4.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.9 p -121.3 170.52 9.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.07 163.26 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -93.75 170.24 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 p -131.08 -58.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.94 121.68 4.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -93.84 122.48 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -176.12 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.13 57.3 3.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.19 108.13 4.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 9' ' ' THR . 54.9 m 46.21 52.42 10.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -153.79 172.22 17.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.52 124.63 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -177.41 160.01 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tp -158.45 154.17 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -42.21 -43.73 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.52 36.67 91.79 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' CD1' ' CG ' ' A' ' 101' ' ' ARG . 3.1 mm -112.04 154.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -139.96 116.74 10.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.96 151.94 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 61' ' ' ILE . 1.1 m -131.45 102.4 5.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -96.28 107.61 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -93.01 127.06 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -99.14 104.3 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -141.3 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.07 172.35 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.3 mt-10 -57.14 103.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.89 42.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.474 1.108 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.6 -33.3 31.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.32 163.91 25.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 31' ' ' PHE . 2.1 mt -98.72 -47.13 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.39 -6.48 9.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.685 ' HD1' ' HB2' ' A' ' 55' ' ' ALA . 17.1 p90 -132.59 168.66 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.411 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -124.47 171.43 9.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 44' ' ' ILE . 3.5 mt -94.96 159.03 15.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -136.69 151.66 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -178.12 23.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -168.15 -159.03 12.93 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -90.82 -42.98 10.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.24 -15.96 60.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 39' ' ' LEU . 2.2 mp -84.97 -174.9 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.77 -31.34 46.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' A' ' 36' ' ' GLY . 92.2 m-20 -88.71 82.66 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 9.4 tptt -52.36 -27.18 14.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' OE2' ' A' ' 66' ' ' GLU . 4.5 p -101.89 118.84 49.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -64.12 142.56 16.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.26 172.33 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.41 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.4 t -75.57 99.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.812 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.5 t-160 -55.91 -61.47 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.8 162.29 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' PHE . 13.2 t -130.6 95.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.3 m-30 -36.84 153.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -31.73 5.96 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -116.98 86.19 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.29 -172.08 24.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 23' ' ' LYS . 2.2 mt -93.5 -44.01 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.685 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -41.34 -34.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -43.43 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -41.48 -52.1 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.15 -60.03 4.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.48 3.8 57.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 m -88.38 -45.35 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.633 HD11 HG21 ' A' ' 19' ' ' THR . 5.4 mt -83.6 96.16 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 42.6 mt-30 -112.66 136.82 51.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -49.52 115.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.14 -14.96 9.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 27.2 m120 -71.82 170.02 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.672 ' HA ' HG22 ' A' ' 45' ' ' THR . 20.1 tt0 -103.63 118.68 37.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 70' ' ' ILE . 85.8 t -90.24 102.64 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.617 HD11 ' HD2' ' A' ' 101' ' ' ARG . 4.3 mt -70.02 -51.11 34.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 p -150.26 166.85 28.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 33' ' ' LEU . 24.9 mt -142.08 119.74 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 74.19 9.66 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.81 2.68 58.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.128 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.87 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.62 146.97 33.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.5 mt -83.63 97.08 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 13.65 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 116.84 27.21 2.82 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.54 144.26 47.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 110.386 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 p -74.03 152.5 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.909 ' CD2' HD11 ' A' ' 84' ' ' LEU . 78.0 t60 -40.06 -47.04 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.613 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.843 ' HA ' HD12 ' A' ' 84' ' ' LEU . 10.5 t-160 -68.67 -61.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 53.2 m-20 -43.3 -27.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.43 -51.72 8.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.909 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.2 mt -48.55 -48.78 38.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.02 -55.88 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.778 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.18 -36.55 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -71.42 -36.54 71.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.533 ' N ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -75.17 -9.71 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.3 mt-30 -97.25 -30.07 13.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.69 -8.14 52.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 -12.28 23.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.625 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.9 mm-40 -59.19 -43.29 96.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 178.31 7.44 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -92.47 5.19 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.2 tt0 -145.76 154.12 41.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.459 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.04 140.04 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.32 114.13 44.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 100' ' ' THR . 4.4 mp -124.77 117.58 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.585 HG12 HD12 ' A' ' 68' ' ' LEU . 21.7 t -97.66 113.9 33.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 98' ' ' ILE . 27.6 p -135.48 151.37 50.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.436 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -97.42 158.22 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -75.72 106.71 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 mt -115.96 141.6 47.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.2 p -73.13 157.38 88.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.01 7.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -151.87 61.45 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.78 162.32 26.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -78.76 157.76 76.37 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 127.73 10.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.18 110.39 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 77.4 mt -55.13 174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.78 141.12 46.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.74 144.76 39.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.7 p -124.88 168.92 12.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -119.27 105.08 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 166.94 28.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.27 160.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.13 163.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.014 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.37 92.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -170.61 165.58 8.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.67 132.47 3.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -138.36 131.77 30.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 p -172.74 131.23 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.13 171.39 23.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.45 1.094 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.37 84.47 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -93.6 127.8 39.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 56.22 94.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -112.45 -34.67 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 172.66 166.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.228 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.95 112.84 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 61.44 21.67 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.44 35.43 91.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.11 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.802 HD13 ' HB3' ' A' ' 101' ' ' ARG . 16.3 mm -92.59 131.48 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -138.91 123.43 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.604 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 97' ' ' VAL . 2.5 p -101.8 152.21 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.231 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.427 HG23 ' HG3' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -120.16 130.73 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 22' ' ' HIS . 20.2 mm -95.41 108.09 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -91.61 129.55 37.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.471 ' CE1' HG22 ' A' ' 20' ' ' ILE . 15.3 m-70 -109.07 107.5 17.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -137.0 170.0 16.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -83.23 169.89 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -53.01 105.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.7 34.28 59.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -80.38 -32.71 37.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.09 163.22 29.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' CD2' ' HE3' ' A' ' 23' ' ' LYS . 4.2 mt -92.89 -41.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.74 -9.66 12.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 9.7 p90 -132.33 169.28 16.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -124.26 170.52 10.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.972 HD11 HD12 ' A' ' 70' ' ' ILE . 3.2 mt -95.88 156.79 16.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.875 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.27 151.04 43.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.91 179.32 52.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 175.92 173.99 42.08 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -68.02 -44.89 75.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -73.6 -23.51 59.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.0 mp -79.6 -171.65 2.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -79.54 -31.73 42.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -93.94 101.85 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -59.11 -44.87 92.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.506 HG21 ' CD ' ' A' ' 66' ' ' GLU . 7.1 p -89.05 119.37 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -62.52 139.76 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.689 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -129.65 171.0 13.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 61' ' ' ILE . 47.3 t -73.43 101.03 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.875 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 7.7 t-160 -53.37 -61.25 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.622 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.41 151.66 30.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 56' ' ' SER . 12.5 t -115.54 95.05 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -38.67 154.19 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.73 8.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -116.67 86.41 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.15 -170.67 25.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -94.98 -49.05 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.79 -35.21 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.359 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' HB2' HG12 ' A' ' 49' ' ' VAL . 1.3 t -76.48 -39.27 53.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -65.4 -44.87 86.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 23.1 mm-40 -58.29 -47.34 83.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.6 -0.9 87.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -81.66 -48.07 12.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.393 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.637 HD11 HD13 ' A' ' 98' ' ' ILE . 12.0 mt -90.59 91.45 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.3 mt-30 -106.77 128.76 54.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.63 130.59 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.96 -18.22 46.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 12.9 m120 -65.81 176.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.689 ' HA ' HG22 ' A' ' 45' ' ' THR . 2.5 tt0 -111.21 124.79 52.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.6 t -93.88 120.04 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.593 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.1 mt -88.41 -49.41 6.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -158.67 160.49 36.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.972 HD12 HD11 ' A' ' 33' ' ' LEU . 40.0 mt -133.83 118.09 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 70.51 12.13 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.82 -6.58 52.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.89 107.29 6.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -82.15 140.73 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.1 mt -84.85 91.12 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 14.59 9.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.6 26.97 2.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.886 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -68.07 149.05 50.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 110.374 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 83' ' ' ALA . 7.3 p -77.93 166.54 22.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.546 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t-160 -52.65 -39.45 61.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.59 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -70.79 -58.77 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.886 ' CB ' HG22 ' A' ' 78' ' ' THR . 33.7 m-20 -56.0 -21.83 23.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -97.58 -25.58 15.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.945 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -80.9 -49.84 10.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.09 -52.39 65.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.94 -37.26 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.82 -36.26 80.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.626 ' N ' HD13 ' A' ' 87' ' ' LEU . 16.7 mtp180 -70.84 -11.82 61.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.501 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 18.8 mt-30 -97.87 -31.0 12.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -8.76 36.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.82 -9.34 24.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 1.8 mm-40 -58.54 -43.14 97.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.03 -162.81 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CA ' ' O ' ' A' ' 23' ' ' LYS . 2.0 mtt180 -107.39 -6.63 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 18.7 tt0 -135.1 157.09 47.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.24 144.83 31.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 18' ' ' VAL . 2.2 t -118.77 117.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.637 HD13 HD11 ' A' ' 61' ' ' ILE . 2.9 mp -125.25 112.51 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG12 ' CG2' ' A' ' 16' ' ' ILE . 5.1 t -93.21 117.69 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.2 p -138.28 154.57 49.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.802 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -116.96 157.2 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -80.24 112.16 17.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD11 ' CB ' ' A' ' 66' ' ' GLU . 14.3 mt -89.57 -179.81 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -37.57 153.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -108.29 -29.55 8.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 61.68 111.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.4 ptp -160.28 151.03 15.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.11 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.98 117.27 23.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.611 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.2 OUTLIER -75.29 -176.72 3.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.82 162.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -146.46 -53.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.2 m 61.79 121.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 77.24 0.08 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.66 5.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.7 t -154.82 159.4 40.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -123.45 153.08 40.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.73 165.53 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.035 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -137.88 170.39 16.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.05 -153.38 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.103 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -153.11 169.04 23.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.4 158.13 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.97 -83.64 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.77 173.39 4.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -128.33 116.85 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.14 112.32 9.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.86 123.21 38.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.86 145.36 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 177.68 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.83 88.67 6.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.67 55.35 14.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.15 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.674 HD13 ' HB3' ' A' ' 101' ' ' ARG . 7.5 mm -118.68 121.83 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.784 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -126.53 125.78 42.6 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.12 150.98 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.654 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.9 OUTLIER -133.01 109.19 9.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.655 HD13 HG22 ' A' ' 97' ' ' VAL . 16.5 mm -88.22 109.23 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -93.27 123.25 36.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -101.0 105.48 16.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.33 170.44 16.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -86.67 168.46 13.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.5 102.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.04 36.29 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.473 1.108 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -79.62 -33.31 41.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.46 166.12 35.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 5.5 mt -93.49 -45.69 7.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.763 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.545 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 120.52 -6.66 11.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.5 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 23.2 p90 -131.39 167.03 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.434 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.9 t -118.95 168.53 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 70' ' ' ILE . 4.2 mt -97.9 159.09 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.936 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -146.46 145.69 30.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.489 ' C ' HD23 ' A' ' 39' ' ' LEU . . . 88.91 -175.57 43.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.672 ' N ' HD23 ' A' ' 39' ' ' LEU . . . 159.36 -179.82 34.7 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.86 -23.02 33.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.656 ' C ' HD13 ' A' ' 39' ' ' LEU . 5.9 t70 -72.29 -21.14 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.715 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -104.89 -148.08 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -97.86 -32.9 11.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -81.86 91.73 6.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -55.56 -44.82 77.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.686 HG21 ' OE2' ' A' ' 66' ' ' GLU . 15.0 p -83.79 132.69 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.574 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.9 mp -79.03 141.95 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -127.37 171.65 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG21 HG23 ' A' ' 61' ' ' ILE . 34.0 t -77.17 100.96 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.936 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 2.6 t-160 -55.11 -61.08 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.561 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.04 157.47 43.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' HB2' ' A' ' 56' ' ' SER . 18.2 t -125.58 95.84 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.8 m-30 -37.67 154.44 0.11 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.41 5.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -115.32 86.58 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.49 -170.21 21.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -95.35 -45.82 6.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -50.64 -44.32 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.709 ' HB2' HG12 ' A' ' 49' ' ' VAL . 23.2 t -69.68 -44.41 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -48.21 68.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.573 ' HG2' HG23 ' A' ' 19' ' ' THR . 6.7 tp10 -58.36 -40.09 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.22 4.86 89.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.654 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -86.1 -46.97 9.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.43 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 46' ' ' VAL . 14.3 mt -90.44 96.92 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -110.64 131.25 55.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -38.3 133.38 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.53 -14.16 64.58 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -65.34 171.81 3.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.792 ' O ' HG22 ' A' ' 100' ' ' THR . 2.5 tp10 -102.77 132.58 48.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.251 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 70' ' ' ILE . 67.4 t -105.34 89.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 99' ' ' VAL . 1.9 mt -61.51 -49.71 75.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.0 p -150.39 168.74 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD11 ' A' ' 33' ' ' LEU . 1.8 mt -144.93 118.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.9 OUTLIER 81.98 1.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.32 49.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -107.0 116.32 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 155.36 39.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.405 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.5 mt -89.52 111.14 21.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.93 12.19 13.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.42 26.29 3.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.823 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -50.74 144.92 7.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 5.0 p -72.73 172.73 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.626 ' HB2' HD21 ' A' ' 39' ' ' LEU . 36.1 t60 -56.39 -46.58 80.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.568 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.575 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 t-160 -71.51 -60.91 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.542 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.823 ' HB3' HG22 ' A' ' 78' ' ' THR . 85.4 m-20 -41.27 -29.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.33 -61.04 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 81' ' ' HIS . 4.0 mt -42.84 -43.36 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.93 -55.15 37.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -45.29 -50.59 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.708 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -56.7 -32.84 65.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -73.88 -27.49 61.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 4.9 mt-30 -85.11 -27.78 26.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.5 -7.77 55.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 -5.25 34.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.63 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 43.9 mt-10 -71.22 -43.26 12.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.05 -179.1 4.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.56 -8.57 26.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.503 ' NE2' HD12 ' A' ' 20' ' ' ILE . 2.5 tt0 -130.67 146.22 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.08 134.93 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 HD13 ' A' ' 20' ' ' ILE . 2.1 t -115.44 116.64 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 HD11 ' A' ' 61' ' ' ILE . 3.0 mp -124.95 122.77 64.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.545 HG12 ' CG2' ' A' ' 16' ' ' ILE . 3.0 t -100.28 113.65 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 66' ' ' GLU . 42.8 p -137.18 165.86 25.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.674 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -128.8 154.5 46.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -68.81 112.21 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 66' ' ' GLU . 12.2 mt -111.21 136.96 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.2 p -44.7 159.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.93 10.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.53 1.805 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -108.79 -63.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.99 172.6 12.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.2 ttt -132.47 123.18 18.39 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -158.42 126.93 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.67 -178.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -136.45 165.41 25.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.1 m -99.96 169.91 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.45 -61.64 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.39 174.66 13.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.3 13.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.12 147.05 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 t 65.08 162.31 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.042 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.956 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 178.62 170.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 110.052 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t 176.32 160.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.91 143.35 4.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.47 130.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 110.031 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.75 166.24 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.955 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.22 130.6 1.29 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.0 141.79 9.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.784 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.7 m -161.06 81.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -87.73 136.6 32.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -150.16 -172.1 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' C ' HD12 ' A' ' 13' ' ' LEU . 2.0 mt-30 -106.6 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.923 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 176.25 173.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER 75.24 -70.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.83 20.3 29.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.623 ' CG2' HG12 ' A' ' 99' ' ' VAL . 17.4 mm -86.79 139.66 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -129.32 121.26 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -93.84 140.78 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' HG2' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -129.88 126.75 38.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.707 ' CD1' HG22 ' A' ' 97' ' ' VAL . 34.7 mm -102.48 108.25 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -88.83 126.79 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.04 105.22 15.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.577 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HE3' ' HB2' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -138.59 175.37 9.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -90.7 166.39 13.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 4.1 mt-10 -56.9 103.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.01 27.89 30.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -83.69 -32.82 25.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.38 162.91 38.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 1.8 mt -92.74 -37.35 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 117.6 -3.66 17.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.519 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 22.7 p90 -137.25 167.98 20.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.44 177.13 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.797 HD11 HD12 ' A' ' 70' ' ' ILE . 5.1 mt -100.78 157.6 16.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.69 149.83 42.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 80.8 177.4 51.45 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.655 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -172.99 -165.75 30.44 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.65 -41.66 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.8 -18.63 61.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 39' ' ' LEU . 5.1 mp -82.25 -176.3 6.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -80.56 -35.24 34.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -88.4 87.45 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 6.6 tppt? -53.1 -30.76 38.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 p -93.82 113.78 29.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.655 HD11 ' HA2' ' A' ' 36' ' ' GLY . 1.8 mp -60.94 140.96 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.9 p -126.94 176.32 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CG2' ' A' ' 61' ' ' ILE . 58.4 t -77.94 103.79 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.6 t-160 -57.93 -61.15 2.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.73 155.77 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 t -123.49 97.81 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.551 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -39.82 154.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -29.84 7.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -116.61 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.36 -172.9 26.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -90.74 -46.29 8.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HD1' ' A' ' 31' ' ' PHE . . . -46.57 -34.37 4.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 -42.16 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.68 -47.71 81.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HG2' HG23 ' A' ' 19' ' ' THR . 0.6 OUTLIER -63.9 -42.05 97.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.44 13.39 83.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -90.05 -48.75 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 10.7 mt -90.54 98.05 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -115.12 131.4 56.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.42 120.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.42 -22.14 11.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.26 167.98 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.663 ' HA ' HG22 ' A' ' 45' ' ' THR . 9.2 tt0 -104.92 114.17 28.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.62 105.19 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.65 -48.43 19.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -155.17 165.25 37.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 33' ' ' LEU . 39.6 mt -142.34 123.73 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.2 t-20 77.27 1.33 3.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.4 5.15 49.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -100.43 113.62 26.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.09 149.53 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.63 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.3 mt -83.07 104.39 13.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 13.41 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.706 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.85 26.31 3.35 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.37 146.41 29.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 110.398 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 1.2 p -74.17 157.46 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.948 ' CD2' HD11 ' A' ' 84' ' ' LEU . 81.0 t60 -43.97 -49.23 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.633 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.796 ' HA ' HD12 ' A' ' 84' ' ' LEU . 20.5 t-160 -67.31 -61.41 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.831 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.2 m-20 -43.37 -28.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.47 -51.3 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.8 mt -51.51 -47.75 63.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.93 -55.02 33.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.64 -35.04 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.731 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.52 -36.12 68.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.578 ' N ' HD13 ' A' ' 87' ' ' LEU . 10.6 mtt180 -73.63 -10.09 59.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -95.78 -26.64 15.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.41 -7.39 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -8.21 35.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 56.4 mt-10 -64.84 -43.63 69.59 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.3 Cg_endo -75.02 176.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -91.64 -2.77 56.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' NE2' HD12 ' A' ' 20' ' ' ILE . 4.1 tt0 -132.84 146.1 51.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.654 ' HB2' ' HE3' ' A' ' 23' ' ' LYS . . . -137.45 134.57 35.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.707 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.91 121.53 67.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -129.41 117.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG12 ' CG2' ' A' ' 16' ' ' ILE . 3.1 t -97.11 114.94 35.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.9 p -138.6 159.91 40.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -123.44 158.37 31.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -78.96 114.96 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.411 HD11 ' CB ' ' A' ' 66' ' ' GLU . 5.2 mt -104.64 -162.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.3 p -59.88 160.3 16.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.59 2.96 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -126.3 173.3 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.34 -59.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.9 ttt 43.32 92.76 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.19 8.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.17 93.11 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 mp -47.78 -63.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.16 164.99 15.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.7 80.11 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 m -92.26 168.73 11.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.71 157.47 27.27 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 165.87 30.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.56 1.821 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.4 m -175.39 167.13 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -176.21 165.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.59 140.63 23.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.36 98.67 9.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.08 -174.8 47.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.117 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -151.13 -177.76 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 109.978 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -46.15 118.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.94 -158.42 14.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.85 149.2 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.2 m -53.53 122.62 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.04 100.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -48.89 156.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -112.03 98.55 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.36 -166.35 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.68 88.27 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 101' ' ' ARG . . . 51.61 54.79 23.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.715 HD13 ' HB3' ' A' ' 101' ' ' ARG . 6.2 mm -122.45 122.07 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -127.22 124.32 38.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.588 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -79.87 145.83 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.86 120.37 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.494 ' CD1' HG22 ' A' ' 97' ' ' VAL . 26.5 mm -98.62 107.73 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD21 ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -95.69 122.14 38.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -99.96 110.78 23.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.635 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -139.66 -175.96 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.9 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.45 169.41 11.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 4.9 mt-10 -69.25 100.74 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.74 4.13 59.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.9 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.86 -33.3 75.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.85 164.58 37.92 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' PHE . 2.4 mt -87.84 -39.37 14.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.38 -2.69 16.06 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CE1' HD12 ' A' ' 29' ' ' LEU . 19.7 p90 -138.3 168.03 20.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.0 t -121.74 176.12 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -100.87 157.79 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.58 151.54 40.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 84.49 175.89 50.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.68 -177.28 41.24 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -79.59 -48.2 14.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -72.73 -7.44 50.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.677 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -91.7 -167.87 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.97 -22.39 25.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.63 86.92 3.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HE3' ' HB1' ' A' ' 37' ' ' ALA . 9.6 tptm -52.35 -33.85 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.62 116.15 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.568 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -59.84 145.32 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -132.68 170.96 14.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG21 HG23 ' A' ' 61' ' ' ILE . 41.1 t -72.59 101.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.878 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 13.3 t-160 -53.96 -60.98 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -151.09 157.81 43.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.93 99.78 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.8 m-30 -41.01 153.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.68 9.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -116.86 85.87 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.39 -178.0 33.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -86.21 -47.04 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' N ' HD21 ' A' ' 21' ' ' LEU . . . -48.41 -28.63 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.69 -38.13 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.16 -45.77 90.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -48.05 83.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 9.22 82.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -88.57 -48.59 7.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.437 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 98' ' ' ILE . 11.8 mt -88.63 92.63 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 mt-30 -107.99 133.96 51.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -38.0 132.76 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.07 -25.29 28.2 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.17 174.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.762 ' O ' HG22 ' A' ' 100' ' ' THR . 0.6 OUTLIER -106.17 122.59 46.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' LEU . 42.4 t -97.82 89.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 16' ' ' ILE . 2.9 mt -62.46 -48.77 78.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.0 p -147.98 168.02 23.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -137.63 113.9 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 76.88 9.47 2.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.73 -0.92 52.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -93.96 118.66 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.95 150.58 28.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.0 mt -84.61 106.27 16.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 13.16 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.84 26.41 3.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.852 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -58.83 142.43 50.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.444 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.4 p -72.12 -167.49 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.423 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.879 ' O ' HD22 ' A' ' 84' ' ' LEU . 36.0 t60 -72.33 -42.24 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.639 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 83' ' ' ALA . 3.8 t-160 -75.83 -60.76 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.922 ' O ' HD12 ' A' ' 86' ' ' ILE . 89.1 m-20 -42.88 -29.36 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.44 -56.18 3.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -45.1 -50.96 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.78 -53.49 57.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -47.42 -39.62 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.01 -34.56 75.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 85' ' ' ALA . 5.4 mtt-85 -69.07 -17.53 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -87.57 -27.61 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -79.52 -6.53 57.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.9 -5.38 38.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.603 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 25.9 mt-10 -75.05 -44.59 4.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.03 175.56 11.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 3.9 mtp180 -91.91 -4.46 54.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 96' ' ' ALA . 9.3 tt0 -135.68 148.61 48.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -141.88 125.75 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -100.71 116.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.781 HD13 HD11 ' A' ' 61' ' ' ILE . 1.5 mp -121.2 121.3 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.534 HG12 ' CG2' ' A' ' 16' ' ' ILE . 6.0 t -100.8 113.71 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 66' ' ' GLU . 41.3 p -136.38 176.37 8.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.715 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -139.2 150.82 46.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -66.15 110.59 3.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 66' ' ' GLU . 41.9 mt -102.71 141.44 35.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 103' ' ' LEU . 59.5 p 52.65 162.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 179.66 5.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.801 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.96 73.31 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.67 87.14 6.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtp -118.46 82.49 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.51 3.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.13 116.4 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -72.82 -76.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 27.2 t30 40.21 79.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 164.69 12.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.993 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 m -138.37 97.18 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -87.7 157.51 28.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.72 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 77.6 p -130.81 164.73 24.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.0 p -131.66 161.58 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -170.75 164.44 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.4 167.16 3.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.18 143.48 3.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -177.85 170.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t 65.09 150.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.04 -113.78 1.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.71 171.82 7.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 m -105.79 120.19 41.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.36 171.19 8.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 mttm 66.32 120.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -85.32 -66.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.43 104.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.11 145.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.784 ' C ' HD13 ' A' ' 16' ' ' ILE . . . -103.62 48.07 1.05 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.812 HD12 ' HG3' ' A' ' 101' ' ' ARG . 2.4 mm -117.84 145.0 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -137.57 119.83 15.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.1 p -76.38 141.49 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.84 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -123.25 112.31 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.655 ' CD1' HG22 ' A' ' 97' ' ' VAL . 38.6 mm -95.18 121.76 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 ' CD2' HG22 ' A' ' 19' ' ' THR . 1.8 mm? -109.55 128.06 54.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -142.3 172.28 12.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.3 167.8 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.03 102.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.91 28.98 27.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.04 -33.47 21.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.54 163.6 34.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -88.79 -46.94 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.546 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.01 -2.63 9.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 29' ' ' LEU . 18.1 p90 -137.8 168.99 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.474 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -120.3 176.07 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HD12 ' A' ' 70' ' ' ILE . 4.9 mt -102.03 157.45 16.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.871 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.94 151.46 42.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.19 174.6 45.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.549 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -170.03 -168.47 31.95 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -82.71 -46.19 13.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -72.49 -13.36 61.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.2 mp -83.57 -174.37 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.01 -34.45 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 9.1 p30 -94.84 95.88 8.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.487 ' NZ ' ' HB1' ' A' ' 37' ' ' ALA . 11.3 tptt -53.37 -45.12 69.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.2 p -82.05 124.25 38.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.592 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -67.87 145.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 66' ' ' GLU . 3.2 p -128.74 175.96 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.4 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 61' ' ' ILE . 57.5 t -79.54 106.3 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.871 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.0 t-160 -62.18 -61.5 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.098 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.62 151.66 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -120.3 95.66 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.9 m-30 -37.58 154.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -29.34 8.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -114.59 86.36 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.96 -175.1 30.57 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -89.69 -51.28 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.45 -27.99 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -82.36 -50.77 8.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -53.92 -45.19 71.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -62.09 -62.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.19 1.38 44.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.84 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.4 m -78.16 -45.62 22.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 98' ' ' ILE . 3.6 mt -95.23 97.12 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 40.6 mt-30 -115.43 127.71 55.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -43.07 110.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.93 -10.04 7.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' ' 103' ' ' LEU . 29.2 m120 -79.03 -175.1 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.675 ' OE2' HG21 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -114.99 131.22 56.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.236 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.3 t -103.42 112.92 38.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.623 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.8 mt -84.79 -47.54 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -152.66 166.11 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.617 HD12 HD11 ' A' ' 33' ' ' LEU . 6.5 mt -141.4 117.9 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER 80.06 0.22 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.28 1.61 38.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.99 114.23 25.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.44 149.24 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.8 mt -83.0 107.61 15.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.57 12.17 13.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.682 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 114.86 26.81 3.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.469 1.105 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.907 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.78 142.2 50.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.373 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 p -72.49 169.8 15.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CD2' HD11 ' A' ' 84' ' ' LEU . 85.2 t60 -52.72 -40.67 63.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -71.69 -67.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.553 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.907 ' CB ' HG22 ' A' ' 78' ' ' THR . 80.5 m-20 -38.77 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -76.24 -55.57 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 80' ' ' HIS . 5.0 mt -46.35 -48.05 18.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.55 -57.37 12.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -38.56 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.907 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -68.2 -34.72 76.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ALA . 58.4 mtp180 -71.14 -18.01 62.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -86.96 -24.82 24.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -80.99 -6.9 59.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -100.09 -4.91 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.68 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -73.79 -39.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.17 -13.51 13.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 20' ' ' ILE . 1.9 tt0 -129.3 146.44 51.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.8 132.64 40.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -110.51 118.48 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.709 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.14 121.14 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 68' ' ' LEU . 17.0 t -103.02 114.66 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.535 HG23 HG22 ' A' ' 98' ' ' ILE . 68.1 p -135.82 159.24 42.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.425 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.812 ' HG3' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -96.91 160.4 14.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.89 104.5 6.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 65' ' ' ASN . 3.5 mt -114.38 139.96 49.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -96.94 156.39 36.47 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.81 60.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.89 159.27 37.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -110.55 98.83 38.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.06 6.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 111.038 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.36 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.11 -72.36 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.68 166.75 11.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.3 t -90.06 -55.23 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.3 158.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.24 64.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.22 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.6 p -150.76 170.47 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.007 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.9 p -50.74 162.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.91 105.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 0.772 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.64 155.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.66 148.79 7.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -178.12 159.08 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -151.3 156.48 40.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.22 -165.05 31.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.96 127.45 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.744 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 m 63.13 122.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 10' ' ' LEU . 4.4 pp -123.34 112.82 18.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.52 -71.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -139.29 -47.7 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.98 92.53 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t70 175.55 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.96 79.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 2.5 mm -112.91 122.54 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -118.93 115.11 23.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.633 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 t -73.74 149.23 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.853 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.2 m -133.43 102.73 5.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.486 HD13 HG22 ' A' ' 97' ' ' VAL . 18.7 mm -85.02 109.64 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -96.32 125.46 40.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CE1' HG22 ' A' ' 20' ' ' ILE . 5.0 m-70 -105.6 110.66 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.637 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -133.47 177.58 7.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -97.45 169.79 9.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 6.8 mm-40 -50.82 122.12 6.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 53.66 31.97 46.12 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 -33.37 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 0.727 . . . . 0.0 109.348 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.46 162.9 32.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 96' ' ' ALA . 1.9 mt -87.64 -47.46 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.561 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.3 -4.95 10.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 16.1 p90 -135.07 168.97 18.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 0.776 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' C ' HD23 ' A' ' 33' ' ' LEU . 11.8 t -122.99 172.2 8.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.898 HD13 HG21 ' A' ' 44' ' ' ILE . 2.3 mt -97.58 158.44 15.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -138.12 151.76 48.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.42 -166.95 14.22 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -160.09 -144.19 3.89 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.52 -41.06 6.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 0.796 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -93.04 -4.12 53.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -81.03 167.94 19.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -37.75 -36.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 43' ' ' VAL . 30.2 p-10 -106.35 150.11 26.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' NZ ' ' HA2' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -97.03 -29.4 13.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -102.58 124.16 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.898 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.64 121.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 21.5 p -101.85 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 HG23 ' A' ' 61' ' ' ILE . 33.8 t -79.86 101.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.696 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 17.2 t-160 -52.76 -61.06 2.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.51 158.27 43.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' PHE . 16.8 t -126.0 95.34 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -36.51 152.49 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -27.46 10.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -117.22 85.78 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.32 -168.72 22.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mt -94.81 -45.75 7.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 0.812 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.65 -29.54 18.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -80.87 -42.08 22.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.41 -42.08 98.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 24.3 mm-40 -66.52 -46.2 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.358 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.86 -5.26 76.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.853 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.1 m -71.05 -48.33 53.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 98' ' ' ILE . 31.4 mt -86.86 90.86 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 47.0 mt-30 -98.26 139.79 33.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.21 128.7 25.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.01 14.95 53.96 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.465 ' O ' ' HA ' ' A' ' 45' ' ' THR . 1.4 m120 -86.2 176.68 7.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.52 94.8 5.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.554 1.159 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.759 HG11 HD11 ' A' ' 70' ' ' ILE . 30.0 t -72.31 108.96 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.675 HD12 HG12 ' A' ' 99' ' ' VAL . 5.8 mt -76.53 -52.71 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.5 p -147.95 156.28 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.759 HD11 HG11 ' A' ' 67' ' ' VAL . 8.5 mt -134.28 128.56 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.1 t-20 64.82 13.02 8.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 -1.44 61.86 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -86.78 117.49 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.751 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 m -86.33 145.65 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 67' ' ' VAL . 4.3 mt -84.0 97.15 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 14.27 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' HA2' ' NZ ' ' A' ' 42' ' ' LYS . . . 118.71 26.21 2.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.819 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -62.68 138.46 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' ALA . 44.3 p -72.43 -167.41 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.894 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.4 t60 -71.86 -35.26 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.7 t-160 -77.78 -69.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.819 ' HB3' HG22 ' A' ' 78' ' ' THR . 31.6 m-20 -39.51 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -77.9 -54.81 5.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.2 -53.34 10.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -54.52 -54.73 37.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -46.02 -38.72 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.783 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.2 OUTLIER -69.68 -36.59 76.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.9 mtt85 -71.51 -11.26 60.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.42 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 71' ' ' ASN . . . -76.28 -7.58 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -98.33 -4.77 34.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 32.7 mt-10 -71.95 -43.63 10.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.0 -164.17 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -108.62 -15.58 14.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.2 tt0 -124.08 148.73 46.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.529 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -128.93 137.56 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 20' ' ' ILE . 2.0 t -117.77 111.75 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.69 HD13 HD11 ' A' ' 61' ' ' ILE . 3.3 mp -122.92 123.63 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.675 HG12 HD12 ' A' ' 68' ' ' LEU . 24.4 t -103.63 113.62 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 98' ' ' ILE . 79.0 p -133.52 158.61 42.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -133.56 161.21 35.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.347 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -74.69 110.19 8.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 1.0 OUTLIER -68.21 -82.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.3 p -129.05 156.67 77.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 157.77 42.61 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -167.1 155.85 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.67 -51.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.2 ttt 54.81 98.4 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.37 29.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -127.85 111.39 13.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.08 52.2 2.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.47 166.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.6 t -150.64 128.04 11.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.68 158.51 39.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.47 158.02 30.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 174.51 12.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.4 p 178.47 146.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.1 t -172.39 167.94 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -163.91 138.34 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 0.798 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -144.24 164.32 31.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.58 87.39 1.75 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.89 153.01 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 0.727 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.93 115.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -167.46 -166.1 25.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 82.43 -61.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.5 m 64.1 148.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -173.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -89.68 62.74 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -134.08 115.98 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -173.16 124.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER 64.92 14.6 9.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.26 33.4 87.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.722 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.3 mm -98.52 129.28 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -123.63 128.94 50.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.546 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.88 151.69 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.692 HG22 HD21 ' A' ' 21' ' ' LEU . 11.9 m -126.35 116.43 21.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.694 HD11 HG22 ' A' ' 97' ' ' VAL . 14.4 mm -115.58 107.65 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 58' ' ' GLU . 2.9 mm? -104.36 131.81 51.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -95.92 113.25 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.599 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -138.85 173.47 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -96.09 168.22 10.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -60.93 102.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.68 30.22 24.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.48 -32.85 17.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.54 164.48 33.12 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.2 -47.32 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 120.65 1.87 11.84 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 18.7 p90 -143.54 170.51 15.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 167.41 16.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 70' ' ' ILE . 5.5 mt -92.55 162.14 14.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.939 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -149.4 132.44 16.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' CA ' HD22 ' A' ' 39' ' ' LEU . . . 106.36 175.36 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . 168.98 160.25 16.6 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -56.55 -37.6 70.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.4 -23.69 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.541 HD22 ' CA ' ' A' ' 35' ' ' GLY . 6.9 mp -82.28 176.89 9.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.27 -37.57 83.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.6 m-20 -89.61 156.3 18.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -111.14 -20.8 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 66' ' ' GLU . 1.5 t -97.31 113.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.626 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -66.18 115.65 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.4 p -104.2 164.59 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.541 HG21 HG23 ' A' ' 61' ' ' ILE . 40.9 t -71.11 103.21 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.939 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 16.2 t-160 -52.82 -61.26 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.599 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 155.89 36.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 61' ' ' ILE . 12.1 t -121.49 96.28 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 30' ' ' GLY . 5.9 m-30 -36.32 151.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.28 12.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -116.95 85.2 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.58 -164.73 18.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.4 mt -93.2 -57.3 2.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -46.18 -27.88 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.69 -40.47 55.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.1 mt-30 -66.93 -55.47 14.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.78 ' OE1' HD11 ' A' ' 21' ' ' LEU . 17.4 pt-20 -58.26 -40.79 82.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLU . . . 74.69 0.86 60.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.2 m -68.96 -44.17 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.541 HG23 HG21 ' A' ' 46' ' ' VAL . 42.3 mt -92.09 90.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 67.0 mt-30 -97.76 143.39 28.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -51.99 128.5 24.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.58 13.98 48.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 5.8 m120 -94.04 129.3 40.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' HG13 ' A' ' 43' ' ' VAL . 16.2 tt0 -64.79 108.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.577 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -81.03 86.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD11 HD12 ' A' ' 16' ' ' ILE . 19.6 mt -43.71 -62.03 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.4 p -151.0 175.01 12.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.032 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.898 HG22 ' OD1' ' A' ' 71' ' ' ASN . 13.8 mt -144.78 120.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.898 ' OD1' HG22 ' A' ' 70' ' ' ILE . 9.9 m120 73.5 4.51 4.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.72 5.59 47.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -91.17 106.48 18.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -75.48 138.93 41.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.626 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.0 mt -76.53 95.5 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 13.45 9.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.07 26.66 2.68 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.61 141.72 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 p -79.11 154.07 29.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.995 ' CD2' HD11 ' A' ' 84' ' ' LEU . 58.3 t60 -40.25 -43.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.588 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.471 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.3 t-160 -67.35 -59.35 3.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.827 ' HB3' HG22 ' A' ' 78' ' ' THR . 4.8 m-20 -50.26 -24.93 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -86.15 -53.91 4.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.995 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.1 mt -45.58 -48.51 14.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.61 -56.32 23.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.11 -35.43 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -71.19 -34.69 71.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ALA . 11.2 mtp85 -71.28 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.412 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 8.5 mt-30 -91.91 -26.57 18.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -75.3 -7.29 53.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -4.95 35.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.615 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -73.44 -44.57 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -75.01 -170.65 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -12.63 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.594 ' NE2' HD12 ' A' ' 20' ' ' ILE . 8.6 tt0 -130.62 145.44 51.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -121.83 141.17 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.694 HG22 HD11 ' A' ' 20' ' ' ILE . 2.1 t -119.55 118.63 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.443 HG23 HG13 ' A' ' 67' ' ' VAL . 3.7 mp -135.21 121.98 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.722 HG12 ' CG2' ' A' ' 16' ' ' ILE . 2.2 t -97.76 113.76 33.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.433 HG23 HG22 ' A' ' 98' ' ' ILE . 82.5 p -132.17 157.13 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.682 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -131.24 160.18 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -76.43 137.34 39.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 17.3 mt -123.31 179.18 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.2 p -38.33 154.79 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -119.96 -38.51 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 65.04 133.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 mmt -140.13 151.55 65.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.88 9.61 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.07 152.32 43.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.586 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -88.96 -77.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 23.9 t30 42.36 90.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.37 108.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.83 167.64 15.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.993 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -163.81 107.05 0.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 152.66 41.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.55 120.68 24.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.8 m -132.98 132.05 41.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.28 161.03 30.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.05 166.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 151.76 5.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 123.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.87 153.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.92 -144.98 11.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.68 135.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.39 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 9' ' ' THR . 9.3 t -167.94 76.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.366 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mt -136.55 129.64 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.01 147.77 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -120.09 76.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -137.31 128.4 27.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 79.53 153.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.608 ' C ' HD13 ' A' ' 16' ' ' ILE . . . -123.82 31.65 4.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' CG ' ' A' ' 101' ' ' ARG . 1.7 mm -107.62 120.02 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -120.82 119.77 33.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -70.72 148.13 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.828 HG22 HD21 ' A' ' 21' ' ' LEU . 3.9 m -125.26 103.1 7.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 ' CD ' ' A' ' 95' ' ' GLN . 18.4 mm -95.8 114.26 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD21 HG22 ' A' ' 19' ' ' THR . 1.3 mm? -106.37 123.43 48.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -96.56 102.14 13.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -126.41 -174.51 3.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -109.91 152.87 25.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 10.3 pt-20 -53.66 102.35 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.39 26.32 16.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.98 -33.4 13.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.33 165.86 28.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 4.1 mt -94.33 -47.51 6.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 118.45 -5.9 14.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -136.0 170.09 16.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 0.792 . . . . 0.0 110.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.404 ' C ' HD23 ' A' ' 33' ' ' LEU . 30.3 t -127.31 169.19 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.909 HD11 HD12 ' A' ' 70' ' ' ILE . 3.4 mt -94.88 158.18 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.863 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -139.3 151.09 46.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.23 176.1 27.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -162.2 -162.95 13.99 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HA ' ' CD ' ' A' ' 42' ' ' LYS . . . -87.66 -45.75 10.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.89 -18.26 61.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.9 mp -81.56 -179.95 7.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.18 -38.02 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -85.38 85.87 7.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 11.0 tptp -53.18 -38.28 62.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG21 ' CD ' ' A' ' 66' ' ' GLU . 2.5 p -90.89 117.89 35.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 44' ' ' ILE . 1.9 mp -64.49 136.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.808 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -124.63 172.12 9.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.658 HG21 HG23 ' A' ' 61' ' ' ILE . 41.9 t -75.07 101.96 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.863 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.7 t-160 -55.36 -61.47 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.26 153.67 37.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -120.12 96.96 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.6 m-30 -39.66 154.67 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.84 6.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -115.48 86.83 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.66 -171.86 25.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.13 -50.4 5.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.5 -33.22 9.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -75.72 -46.81 28.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.89 -42.43 65.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.67 ' HG2' HG23 ' A' ' 19' ' ' THR . 4.5 tp10 -62.7 -56.17 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.354 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.65 -4.89 66.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.679 HG21 ' OG1' ' A' ' 19' ' ' THR . 2.3 m -78.37 -44.41 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.658 HG23 HG21 ' A' ' 46' ' ' VAL . 8.7 mt -86.68 96.52 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 63' ' ' LYS . 34.9 mt-30 -110.26 132.4 54.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -37.21 130.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.5 -27.55 19.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 45' ' ' THR . 0.3 OUTLIER -46.46 161.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.774 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HA ' HG22 ' A' ' 45' ' ' THR . 7.6 tt0 -98.94 115.06 28.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.578 ' HA ' HG22 ' A' ' 100' ' ' THR . 88.4 t -87.14 104.27 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.794 HD11 ' HD2' ' A' ' 101' ' ' ARG . 1.8 mt -74.34 -47.27 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.79 161.72 40.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.909 HD12 HD11 ' A' ' 33' ' ' LEU . 5.3 mt -135.69 121.89 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.1 6.52 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 -0.35 46.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.547 1.155 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -89.44 113.46 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 m -81.01 147.04 30.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.52 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.7 mt -84.23 97.71 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.23 13.74 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 118.13 26.7 2.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.848 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.02 142.89 50.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.751 . . . . 0.0 110.405 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 p -72.86 175.26 6.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.442 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 84' ' ' LEU . 41.8 t60 -58.06 -45.21 87.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.42 ' C ' ' N ' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -72.35 -60.32 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.848 ' HB3' HG22 ' A' ' 78' ' ' THR . 35.8 m-20 -42.91 -28.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -83.14 -59.6 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.746 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.3 mt -47.57 -42.25 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -63.91 -59.07 4.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.87 -36.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -70.71 -36.89 73.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.646 ' N ' HD13 ' A' ' 87' ' ' LEU . 42.1 mtt180 -65.97 -9.61 31.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 11.4 mt-30 -100.18 -26.52 13.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -8.45 30.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CG ' ' HG ' ' A' ' 29' ' ' LEU . 2.2 mtp85 -97.54 -4.55 37.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.635 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 28.8 mt-10 -69.7 -43.39 21.38 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.99 -175.78 2.54 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -100.14 -3.4 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.25 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' CD ' HG23 ' A' ' 20' ' ' ILE . 3.6 tt0 -142.46 144.34 32.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.68 133.62 52.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.0 t -111.17 111.91 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -124.43 125.17 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.605 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -108.74 113.56 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 67' ' ' VAL . 68.6 p -131.96 160.33 36.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.794 ' HD2' HD11 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -110.79 157.15 20.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -76.0 121.12 22.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 104' ' ' THR . 1.8 mt -128.66 178.15 6.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 103' ' ' LEU . 13.4 p 54.0 164.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -70.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -168.61 46.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.84 173.2 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.3 ttp -84.28 126.48 69.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 128.35 11.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -154.6 123.4 6.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.574 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -88.14 -77.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 40.2 87.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.21 170.57 16.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.0 p -117.51 168.27 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -121.57 77.1 0.33 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 160.53 39.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.33 166.75 29.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.9 m -136.58 130.23 32.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.23 -59.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t 65.83 159.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 136.86 3.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 p 176.35 151.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.979 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 p 178.34 161.44 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.84 -162.13 32.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.79 -173.69 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -125.18 52.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.24 165.26 13.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -57.01 -78.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -94.44 70.02 3.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tp -168.24 136.84 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.3 t0 69.0 172.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 16' ' ' ILE . . . -94.24 57.7 2.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 4.5 mm -120.11 130.26 74.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 0.734 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -127.55 123.93 36.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.06 151.68 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.923 HG22 HD21 ' A' ' 21' ' ' LEU . 6.9 m -121.39 110.52 16.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.649 HG23 ' OE1' ' A' ' 95' ' ' GLN . 27.5 mm -110.15 107.55 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.923 HD21 HG22 ' A' ' 19' ' ' THR . 2.6 mm? -107.21 126.34 52.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -94.93 103.49 15.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.23 -174.77 3.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 4.9 mt-10 -102.61 163.74 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.73 102.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.57 39.83 11.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -96.93 -27.86 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 0.741 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 91' ' ' ARG . . . 102.05 151.14 23.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.821 HD12 HD21 ' A' ' 87' ' ' LEU . 68.4 mt -81.8 -47.26 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.544 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.41 -12.26 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 29' ' ' LEU . 10.7 p90 -131.15 167.09 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.56 172.63 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.624 HD13 HG21 ' A' ' 44' ' ' ILE . 4.5 mt -103.27 155.21 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.938 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -139.26 151.24 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 88.6 -179.73 46.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 172.48 170.42 36.26 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.83 -21.16 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 39' ' ' LEU . 1.6 mp -86.53 -168.83 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.34 -25.46 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -96.26 99.93 11.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 25.2 mmtm -59.86 -46.13 90.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -88.09 118.22 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.624 HG21 HD13 ' A' ' 33' ' ' LEU . 1.5 mp -59.89 154.86 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.859 HG22 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -140.22 -179.03 5.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' A' ' 65' ' ' ASN . 11.1 t -83.52 99.65 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.158 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.938 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 8.5 t-160 -58.96 -59.8 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.35 154.83 40.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 56' ' ' SER . 15.8 t -124.06 98.6 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.2 m-30 -39.96 153.16 0.2 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.41 11.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -117.35 86.22 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.76 -169.97 23.75 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 mt -96.0 -49.65 5.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.32 -35.46 12.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.128 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.689 ' HB2' HG12 ' A' ' 49' ' ' VAL . 36.9 t -77.59 -47.32 19.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -55.79 23.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' HG3' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -57.49 -42.49 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -5.84 82.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.8 m -63.7 -49.27 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 0.769 . . . . 0.0 110.435 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 19.7 mt -96.9 90.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 22.5 mt-30 -104.19 126.81 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLN . 12.2 ttpt -39.08 106.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ASN . . . 140.08 -16.35 3.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.507 1.129 . . . . 0.0 111.034 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.672 ' HB2' HG23 ' A' ' 46' ' ' VAL . 31.7 m120 -53.81 -171.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.859 ' HA ' HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER -115.8 -17.75 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG23 ' HA ' ' A' ' 45' ' ' THR . 6.3 t 45.79 93.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD21 ' CD ' ' A' ' 101' ' ' ARG . 1.2 mt -74.22 -49.59 22.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.9 p -156.45 178.36 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.915 HG22 ' OD1' ' A' ' 71' ' ' ASN . 36.1 mt -145.93 124.59 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.915 ' OD1' HG22 ' A' ' 70' ' ' ILE . 15.2 m120 70.47 7.12 6.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.79 55.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 106.19 18.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 126.45 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD13 HD13 ' A' ' 44' ' ' ILE . 12.0 mt -68.4 101.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.56 13.79 9.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 118.64 26.81 2.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.849 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -57.7 143.36 42.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.416 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 82' ' ' ASP . 6.6 p -76.44 160.27 29.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.877 ' CD2' HD11 ' A' ' 84' ' ' LEU . 56.9 t60 -45.58 -44.82 13.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.58 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.6 t-160 -67.86 -60.11 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.849 ' CB ' HG22 ' A' ' 78' ' ' THR . 21.6 m-20 -46.74 -27.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.33 -54.79 4.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.6 mt -49.27 -46.11 45.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.84 -57.18 13.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.52 -33.94 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.821 HD21 HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -73.02 -34.33 66.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.1 mtt180 -70.74 -18.32 62.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 12.7 mt-30 -87.02 -30.46 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -7.75 40.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' NH1' ' HA2' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -98.19 -4.77 34.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.61 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -71.45 -44.85 13.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.539 1.81 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -22.74 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.649 ' OE1' HG23 ' A' ' 20' ' ' ILE . 9.0 tt0 -124.78 147.46 48.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.407 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -126.58 142.14 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.52 115.55 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -129.54 121.13 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.53 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 2.8 t -92.0 125.14 44.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 7.2 p -144.53 143.66 30.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HG2' HD21 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -111.78 150.99 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -64.69 117.25 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 66' ' ' GLU . 16.0 mt -105.89 129.71 53.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -49.42 158.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.422 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 162.43 37.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.9 -63.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -172.8 66.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 22.9 ttt -152.32 86.51 4.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 146.91 33.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -99.26 105.46 17.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -89.74 57.35 3.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.91 151.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 84.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.73 164.12 23.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.65 -176.08 14.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.028 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.1 t -171.93 168.98 5.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.42 169.86 14.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.1 133.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.52 157.88 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.85 96.36 1.03 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -172.1 160.88 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.977 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.53 126.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.73 114.26 0.33 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.555 1.159 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.91 107.65 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.4 m -158.29 146.44 18.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -78.48 71.62 4.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -173.66 173.54 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -76.09 89.71 3.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.75 119.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.97 174.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.608 ' C ' HD13 ' A' ' 16' ' ' ILE . . . -160.11 37.82 0.46 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD12 ' CG ' ' A' ' 101' ' ' ARG . 1.3 mm -113.36 113.22 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -119.76 118.61 31.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.8 t -70.96 137.31 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.778 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.7 m -114.18 104.26 11.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 22' ' ' HIS . 21.9 mm -91.96 107.7 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.692 ' CD2' HG22 ' A' ' 19' ' ' THR . 0.6 OUTLIER -98.0 132.31 43.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CE1' HG22 ' A' ' 20' ' ' ILE . 3.9 m-70 -111.16 103.27 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.579 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -129.96 -174.9 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.865 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -87.54 169.55 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 7.0 mt-10 -67.61 101.19 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.89 10.28 64.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB2' ' HG2' ' A' ' 24' ' ' GLU . . . -64.5 -33.66 76.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.07 158.55 26.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.518 HD23 ' HE2' ' A' ' 23' ' ' LYS . 5.6 mt -84.24 -47.55 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 123.7 -5.59 9.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -137.23 167.34 21.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 t -121.77 163.46 19.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.798 HD11 HD12 ' A' ' 70' ' ' ILE . 6.9 mt -92.58 158.97 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.43 150.11 37.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.23 176.23 50.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -173.91 -166.93 32.82 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -83.25 -45.62 13.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.59 -22.86 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.3 mp -79.14 178.02 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.95 -40.68 71.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' GLY . 83.1 m-20 -83.11 94.97 7.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -56.24 -45.61 79.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG21 ' CD ' ' A' ' 66' ' ' GLU . 9.3 p -87.27 119.03 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 75' ' ' LEU . 2.0 mp -60.15 141.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.0 p -127.56 173.11 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.37 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 61' ' ' ILE . 48.4 t -76.87 105.16 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.894 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 23.4 t-160 -59.82 -61.48 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.86 152.07 33.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.08 103.77 14.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 5.3 m-30 -45.18 154.72 0.46 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.54 8.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -116.02 86.12 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.1 -167.19 19.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.682 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -95.2 -53.68 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -41.8 -29.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -85.57 -45.8 11.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.9 mt-30 -58.21 -45.36 87.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -62.4 -59.3 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 13.23 35.81 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.778 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -91.71 -48.82 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.43 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 mt -92.55 99.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 60.7 mt-30 -117.25 126.35 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -42.13 108.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 129.42 -12.08 6.03 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 33.8 m120 -78.94 -177.04 5.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG21 ' A' ' 43' ' ' VAL . 1.3 tt0 -114.97 127.44 55.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.58 ' HA ' HG22 ' A' ' 100' ' ' THR . 59.3 t -95.73 117.92 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 101' ' ' ARG . 3.5 mt -87.77 -48.51 7.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -157.09 165.81 35.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.798 HD12 HD11 ' A' ' 33' ' ' LEU . 39.7 mt -142.64 131.2 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 64.92 12.58 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.84 6.58 63.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -92.25 106.67 18.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.45 135.7 42.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 44' ' ' ILE . 10.4 mt -76.66 95.22 3.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 13.22 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.1 26.28 3.29 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.829 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.91 144.36 33.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.43 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 p -73.95 172.76 11.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.789 ' CD2' HD11 ' A' ' 84' ' ' LEU . 45.1 t60 -56.43 -45.53 80.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.636 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.417 ' C ' ' N ' ' A' ' 83' ' ' ALA . 1.3 t60 -71.1 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.829 ' HB3' HG22 ' A' ' 78' ' ' THR . 84.7 m-20 -45.24 -26.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -84.41 -61.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.789 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.4 mt -42.39 -45.6 4.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -61.52 -57.05 13.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.797 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.55 -39.52 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -67.39 -35.88 80.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' N ' HD13 ' A' ' 87' ' ' LEU . 6.4 mtp85 -72.84 -16.13 61.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.64 -28.65 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.56 -7.89 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -9.4 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.616 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.7 mm-40 -65.6 -43.99 63.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.0 -178.34 4.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -92.73 -17.68 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.3 tt0 -128.91 147.0 50.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.52 147.03 50.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -119.61 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.517 HG22 HG23 ' A' ' 100' ' ' THR . 3.6 mp -126.36 129.89 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.475 HG12 HD12 ' A' ' 68' ' ' LEU . 3.3 t -111.56 113.62 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 67' ' ' VAL . 82.7 p -135.0 150.53 50.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.626 ' CG ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -102.63 147.19 27.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -73.29 -17.19 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 mt 48.51 -128.07 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -83.98 160.88 56.99 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.447 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 170.19 20.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.01 56.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.91 97.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.17 157.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.55 4.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -102.5 93.56 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.466 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -87.36 58.89 5.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 170.67 99.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.4 t -126.34 131.64 51.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -113.33 153.77 27.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.049 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 73.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.91 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m 62.27 169.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.88 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -163.84 145.15 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 0.78 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.78 165.59 21.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 149.75 21.86 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.98 110.85 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.55 151.66 38.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.46 -179.94 18.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.29 122.55 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 9' ' ' THR . 9.7 t -157.94 108.63 2.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.6 179.49 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -151.78 127.47 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.23 118.8 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.13 104.63 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.99 144.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 16' ' ' ILE . . . -105.43 54.28 0.61 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' CG2' ' CG1' ' A' ' 99' ' ' VAL . 5.6 mm -116.81 119.79 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -113.74 127.49 56.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.4 t -87.74 136.79 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.901 ' OG1' HG21 ' A' ' 60' ' ' THR . 3.0 m -120.41 111.59 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' CD1' HG22 ' A' ' 97' ' ' VAL . 27.2 mm -95.75 115.15 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.607 ' HB3' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -102.08 126.86 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -98.79 107.29 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -133.65 176.58 8.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -97.85 170.51 8.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -58.24 114.56 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.87 29.05 72.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.67 -33.23 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.04 163.91 32.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.438 1.086 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -87.32 -46.86 9.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.94 -4.99 8.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 29' ' ' LEU . 11.7 p90 -137.28 168.83 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.493 ' C ' HD23 ' A' ' 33' ' ' LEU . 81.0 p -120.33 177.57 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD13 HG21 ' A' ' 44' ' ' ILE . 5.0 mt -103.38 160.38 14.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.858 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -140.78 151.53 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.83 175.7 20.38 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -167.51 -168.41 29.63 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -81.47 -43.1 19.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.59 -23.74 59.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.3 mp -78.44 -175.34 4.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -77.68 -33.5 53.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -88.16 88.61 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -52.33 -44.31 65.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.44 120.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.607 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -60.56 152.33 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.7 p -138.48 175.92 9.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.44 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CG2' ' A' ' 61' ' ' ILE . 45.6 t -82.43 96.58 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.858 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 10.9 t-160 -54.49 -60.92 2.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -145.86 157.1 43.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 t -123.54 96.05 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -38.8 152.08 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.77 9.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -116.26 86.09 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.04 -165.57 19.21 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.538 1.148 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.8 mt -95.84 -45.81 6.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.7 -19.15 15.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.54 -19.53 19.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -35.47 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -63.16 -64.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.06 8.01 34.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.901 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.0 OUTLIER -94.46 -48.79 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 110.412 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.554 ' CG2' HG21 ' A' ' 46' ' ' VAL . 10.2 mt -89.36 98.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.09 131.97 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.2 ttpp -47.29 114.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.15 -10.14 10.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -74.96 -176.98 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 45' ' ' THR . 14.4 tt0 -115.19 116.75 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.55 118.53 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.6 mt -86.92 -50.2 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 p -148.74 167.56 25.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -142.41 119.05 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 0.7 OUTLIER 78.27 0.36 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.71 1.27 36.95 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 116.84 30.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.84 150.79 34.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.586 HD13 ' HB ' ' A' ' 44' ' ' ILE . 5.2 mt -83.26 103.51 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 13.02 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.84 26.49 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.879 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -57.28 140.05 51.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 110.396 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 p -71.98 162.59 29.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.7 t60 -48.98 -32.01 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -81.75 -60.76 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.879 ' HB3' HG22 ' A' ' 78' ' ' THR . 7.5 m-20 -46.0 -27.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.73 -53.11 7.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -49.32 -52.45 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -57.8 -52.91 63.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.41 -39.65 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.749 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.5 -32.93 73.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.6 mtt-85 -72.69 -12.84 61.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 7.4 mt-30 -94.04 -32.3 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.08 -8.76 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' CZ ' HD11 ' A' ' 87' ' ' LEU . 6.8 mtt180 -98.04 -9.79 25.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.8 mm-40 -62.27 -43.03 84.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.1 Cg_endo -75.03 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' LYS . 1.6 mpt_? -107.58 -19.19 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.03 146.32 46.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.62 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -126.74 134.55 50.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.2 t -114.41 119.45 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.53 ' CD1' HD23 ' A' ' 21' ' ' LEU . 4.0 mp -128.05 126.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.546 ' CG1' ' CG2' ' A' ' 16' ' ' ILE . 21.3 t -107.73 120.81 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 66.9 p -139.3 163.39 32.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.355 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -130.1 146.04 51.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 4.4 mptt -61.17 129.5 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 66' ' ' GLU . 20.4 mt -107.86 -178.64 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.1 p -48.74 158.31 0.66 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.07 37.72 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -127.71 149.68 50.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.71 138.58 23.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 ttt -162.47 129.85 2.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.37 10.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -112.12 99.7 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -64.8 179.34 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.85 165.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.98 90.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 p -43.38 162.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.15 171.44 37.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.97 42.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -150.12 170.49 18.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 92.3 p -93.2 169.58 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.028 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -163.53 169.6 18.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -156.43 134.04 10.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.4 173.81 0.94 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.59 -50.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -174.24 168.06 4.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.958 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -75.75 -69.4 1.4 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 66.73 173.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.3 m 46.39 86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.23 124.15 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -49.82 175.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.59 -85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.749 HD13 ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 87.59 147.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.749 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 69.66 -75.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.1 31.61 7.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.762 HD13 ' HB3' ' A' ' 101' ' ' ARG . 7.5 mm -99.57 133.74 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -135.4 117.31 15.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.549 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 m -70.92 153.16 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 HG22 HD21 ' A' ' 21' ' ' LEU . 2.0 m -135.1 114.08 12.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.531 ' O ' HD13 ' A' ' 21' ' ' LEU . 33.3 mm -97.47 126.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.2 mm? -116.32 121.54 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -84.43 111.37 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.832 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.7 pttp -135.89 -173.72 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' H ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 mt-10 -117.63 166.81 11.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 102.93 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.08 31.52 17.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' HB3' ' H ' ' A' ' 24' ' ' GLU . . . -97.94 -30.77 12.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.48 158.2 33.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.8 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -80.99 -46.84 14.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 124.41 -2.7 8.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.611 ' CE1' HD12 ' A' ' 29' ' ' LEU . 12.1 p90 -139.78 175.93 9.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.4 t -129.01 172.84 10.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.816 HD13 HG21 ' A' ' 44' ' ' ILE . 6.4 mt -99.16 161.59 13.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -143.28 151.53 40.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' HA2' HD22 ' A' ' 39' ' ' LEU . . . 65.0 -171.12 23.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -175.27 -150.26 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.56 -32.03 12.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.44 -18.68 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.682 HD22 ' HA2' ' A' ' 35' ' ' GLY . 6.4 mp -83.5 -172.29 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.37 -33.99 42.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' GLY . 78.3 m-20 -86.97 87.37 7.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -53.82 -20.36 5.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 ' CD ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -105.66 123.45 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.816 HG21 HD13 ' A' ' 33' ' ' LEU . 1.9 mp -65.92 110.79 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -96.53 170.0 9.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CG2' ' A' ' 61' ' ' ILE . 46.7 t -79.86 104.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.773 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 18.9 t-160 -55.79 -61.45 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.423 1.077 . . . . 0.0 109.646 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -147.64 157.83 43.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' HB2' ' A' ' 56' ' ' SER . 21.8 t -126.41 94.54 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.6 m-30 -37.51 153.12 0.12 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -28.29 9.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -117.16 86.19 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.45 -164.07 15.64 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -96.01 -55.53 2.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.97 -40.79 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.671 ' HB2' HG12 ' A' ' 49' ' ' VAL . 29.3 t -74.42 -51.27 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.57 -34.8 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.494 ' HG3' HG23 ' A' ' 19' ' ' THR . 3.9 mm-40 -70.14 -59.32 2.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.85 -2.93 58.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -83.48 -44.22 14.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.57 ' CG2' HG21 ' A' ' 46' ' ' VAL . 17.8 mt -87.96 90.21 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . 54.3 mt-30 -103.15 132.27 49.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.4 ttpp -44.32 111.48 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.59 16.17 6.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 62' ' ' GLN . 28.0 m120 -108.84 139.65 43.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.672 ' CD ' HG12 ' A' ' 43' ' ' VAL . 4.5 tp10 -67.95 131.09 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 70' ' ' ILE . 89.4 t -100.16 86.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 99' ' ' VAL . 11.2 mt -43.13 -62.15 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.0 p -146.08 171.38 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.805 HD11 HG11 ' A' ' 67' ' ' VAL . 46.3 mt -142.49 123.19 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.31 5.72 5.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.53 6.32 53.06 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.425 1.078 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' CD ' HG12 ' A' ' 86' ' ' ILE . 9.5 ttmm -99.17 111.84 24.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -74.96 150.49 39.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.747 HD11 ' O ' ' A' ' 67' ' ' VAL . 5.1 mt -84.24 102.44 12.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.37 11.49 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.54 27.01 3.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -59.76 143.15 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.38 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 p -75.48 165.49 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.859 ' CD2' HD11 ' A' ' 84' ' ' LEU . 72.2 t60 -49.9 -45.67 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.751 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.6 t-160 -69.3 -61.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.886 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.2 m-20 -45.91 -26.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.45 -48.11 11.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.859 HD11 ' CD2' ' A' ' 80' ' ' HIS . 4.7 mt -50.55 -51.89 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -58.99 -52.4 65.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.886 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -70.66 -33.09 70.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 85' ' ' ALA . 83.6 mtt180 -69.73 -13.51 62.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' HA ' ' CG ' ' A' ' 92' ' ' GLU . 21.5 mt-30 -93.46 -31.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.43 -8.01 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -98.4 -5.98 31.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.642 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 3.8 mm-40 -68.74 -43.31 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.99 173.46 14.48 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' LYS . 8.2 mtm-85 -91.54 6.95 43.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -143.8 144.57 31.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.8 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -118.0 130.84 56.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -113.15 115.3 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 21' ' ' LEU . 2.9 mp -130.36 129.98 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 68' ' ' LEU . 6.9 t -112.15 115.68 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 p -134.75 163.29 30.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.762 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -132.2 145.2 51.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -64.36 106.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 66' ' ' GLU . 50.8 mt -86.11 173.39 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' LEU . 65.7 p -39.17 158.87 0.11 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.395 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 152.74 41.28 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.66 171.26 13.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.18 118.14 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 ttm -177.17 99.62 0.23 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -68.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -167.04 167.39 14.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -89.56 -78.02 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.4 t30 53.7 177.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 m 61.86 151.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.64 97.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -156.3 75.95 0.21 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.77 161.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.3 p -164.55 119.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.73 153.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 m 68.76 166.27 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.05 -58.49 0.13 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 52.7 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -104.09 173.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -131.6 155.36 21.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 69.88 -65.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' GLY . 21.8 m 61.66 146.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.427 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.8 94.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.83 -55.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -41.99 116.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -126.22 145.45 50.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.2 t0 80.93 -67.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.46 35.08 5.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.478 HG21 ' CG1' ' A' ' 99' ' ' VAL . 10.2 mm -106.08 155.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.794 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.95 110.43 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.618 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.0 t -77.47 144.02 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.985 HG23 ' HG2' ' A' ' 58' ' ' GLU . 24.4 m -127.51 106.59 9.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.556 HG22 ' CE1' ' A' ' 22' ' ' HIS . 28.7 mm -97.26 108.53 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -92.56 133.2 36.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' CE1' HG22 ' A' ' 20' ' ' ILE . 5.6 m-70 -112.97 101.34 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.632 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -135.58 171.94 13.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.16 168.14 14.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -55.74 107.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.94 25.66 55.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -81.94 -33.29 30.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 163.2 35.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 3.6 mt -85.74 -47.2 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 125.45 -5.6 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 27.1 p90 -132.92 165.05 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 0.816 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' HB2' ' ND1' ' A' ' 47' ' ' HIS . 7.3 m -117.74 166.64 12.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 70' ' ' ILE . 4.1 mt -94.17 159.42 15.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -147.57 151.27 36.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.632 ' O ' HD22 ' A' ' 39' ' ' LEU . . . 89.08 -160.88 29.99 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . 161.16 -177.67 37.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -76.37 -50.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.31 -24.2 61.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 35' ' ' GLY . 9.0 mp -72.51 176.56 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.43 -40.48 81.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -88.31 97.27 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -53.21 -46.0 68.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.929 HG21 ' OE2' ' A' ' 66' ' ' GLU . 7.1 p -88.18 124.07 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.679 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -60.7 152.42 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.763 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.2 p -138.64 172.36 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 61' ' ' ILE . 40.7 t -76.73 99.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -55.41 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' CD2' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -143.03 145.73 33.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.269 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 61.6 t -112.51 91.34 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 6.8 m-30 -38.29 150.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.8 14.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -115.26 84.59 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.82 -171.99 29.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 23' ' ' LYS . 17.7 mt -89.25 -50.85 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -40.4 -55.2 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -54.47 -41.27 69.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -69.45 -38.91 77.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.985 ' HG2' HG23 ' A' ' 19' ' ' THR . 23.8 tp10 -58.86 -57.87 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.94 3.03 59.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.094 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.667 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.3 m -95.2 -49.15 5.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -85.1 94.31 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -111.4 127.45 55.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -43.87 110.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.02 -11.68 7.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -75.01 177.85 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.929 ' OE2' HG21 ' A' ' 43' ' ' VAL . 6.3 tt0 -108.97 124.46 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG23 ' HA ' ' A' ' 45' ' ' THR . 51.6 t -94.99 122.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD12 HG12 ' A' ' 99' ' ' VAL . 3.9 mt -90.91 -50.49 5.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -151.99 164.02 38.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.502 ' CD1' HD11 ' A' ' 33' ' ' LEU . 85.8 mt -138.66 121.06 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 68.41 9.24 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 102.99 -2.22 47.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -82.98 110.77 18.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.53 137.97 35.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD13 ' HB ' ' A' ' 44' ' ' ILE . 8.6 mt -79.8 97.27 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.74 13.33 10.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.645 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.25 26.85 2.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.86 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.74 142.49 49.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.426 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.0 p -75.46 177.89 6.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.896 ' O ' HD22 ' A' ' 84' ' ' LEU . 35.1 t60 -59.39 -42.46 91.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.615 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' ALA . 7.9 t-160 -73.78 -63.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.86 ' HB3' HG22 ' A' ' 78' ' ' THR . 70.6 m-20 -43.9 -27.32 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -82.35 -58.36 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.896 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -43.74 -48.32 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -56.92 -56.83 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.4 OUTLIER -45.43 -47.34 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.778 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -61.24 -34.17 74.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -68.99 -29.0 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.255 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.6 mt-30 -78.27 -30.78 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.43 -7.5 47.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 23' ' ' LYS . 3.0 mtt-85 -98.25 -5.99 32.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.621 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.6 mm-40 -69.97 -44.11 21.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.0 Cg_endo -75.07 -165.59 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -109.31 -11.58 14.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 7.9 tt0 -136.15 150.5 49.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -138.13 144.83 41.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -114.5 119.76 62.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 21' ' ' LEU . 3.6 mp -123.53 119.88 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 68' ' ' LEU . 15.7 t -100.57 113.78 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.554 HG23 HG22 ' A' ' 98' ' ' ILE . 71.8 p -130.74 154.11 48.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.539 ' CD ' HD21 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -106.92 161.16 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 129.19 34.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mt -126.75 176.54 7.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.6 p -38.66 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -64.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.498 1.788 . . . . 0.0 111.04 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 76.99 -58.68 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.05 130.23 39.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 17.5 mtp -141.3 114.36 6.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 137.46 21.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.769 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -110.49 139.04 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.3 mt -74.68 177.7 5.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.17 146.48 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.62 159.24 16.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.96 152.59 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -149.64 178.89 26.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.21 33.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 t -151.08 152.71 33.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.8 t -121.01 119.96 34.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.962 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -136.48 159.47 41.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.11 126.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.57 79.19 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -171.27 141.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -153.79 129.53 10.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.78 157.14 27.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.27 138.22 21.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m 63.7 71.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mt -133.89 101.48 5.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -96.34 140.14 31.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 2.6 mt-30 166.35 93.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.23 125.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.25 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 53.23 79.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.71 93.65 0.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.767 ' H ' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -110.33 146.8 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.27 126.0 17.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.579 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.83 133.5 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.798 HG23 ' HG3' ' A' ' 58' ' ' GLU . 4.1 m -114.64 118.67 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.48 ' CD1' HG22 ' A' ' 97' ' ' VAL . 25.9 mm -107.51 107.71 23.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.833 ' HB3' HD13 ' A' ' 54' ' ' LEU . 1.4 mm? -97.61 124.85 42.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -96.49 103.39 15.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.631 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -125.63 179.19 5.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -98.15 169.74 9.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.05 102.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.49 36.13 24.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.4 -33.09 14.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.89 165.26 27.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD22 ' HB2' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -90.85 -47.27 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 125.34 -1.57 8.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' HD12 ' A' ' 29' ' ' LEU . 14.1 p90 -140.84 176.71 8.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t -128.44 172.65 10.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.8 mt -100.01 157.97 16.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.896 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -141.8 150.65 41.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 174.92 49.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.509 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -171.75 179.92 43.16 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -77.42 -41.17 40.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.62 -23.63 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.0 mp -81.75 -171.02 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.53 -30.59 33.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -87.57 88.15 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -52.6 -43.71 65.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.87 121.11 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -63.83 147.17 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.3 p -133.6 171.85 13.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 61' ' ' ILE . 47.5 t -75.17 101.89 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.896 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 4.5 t60 -57.25 -61.3 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -148.36 155.53 41.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 t -122.91 96.21 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.472 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.17 154.12 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -27.86 9.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.16 86.51 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.88 -167.16 19.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 21' ' ' LEU . 2.1 mt -92.73 -48.83 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 0.72 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -48.01 -37.82 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.63 -34.77 65.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -68.85 -46.83 67.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.798 ' HG3' HG23 ' A' ' 19' ' ' THR . 1.4 mm-40 -66.05 -51.81 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.88 -8.84 70.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.549 HG21 ' OG1' ' A' ' 19' ' ' THR . 3.9 m -68.11 -49.49 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.589 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 12.0 mt -86.32 94.04 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.6 mt-30 -111.05 123.93 51.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLN . 5.3 ttpp -40.16 111.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.37 -13.87 8.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -169.75 0.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.481 ' HB2' HD11 ' A' ' 103' ' ' LEU . 0.7 OUTLIER -118.21 121.21 39.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -91.32 92.0 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.584 HD21 ' HD3' ' A' ' 101' ' ' ARG . 3.0 mt -66.6 -47.91 71.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.8 p -146.43 170.81 16.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -141.18 121.78 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' VAL . 1.3 t-20 68.38 9.2 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.39 8.27 50.11 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 120.57 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.43 151.15 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 2.4 mt -87.54 106.06 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.369 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.32 13.41 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 117.07 26.49 2.97 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.61 144.39 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 p -73.93 167.95 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.889 ' O ' HD22 ' A' ' 84' ' ' LEU . 66.0 t60 -57.2 -26.11 60.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.405 ' C ' ' N ' ' A' ' 83' ' ' ALA . 10.1 t-160 -87.53 -61.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.897 ' O ' HD12 ' A' ' 86' ' ' ILE . 76.7 m-20 -46.63 -25.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -80.05 -53.46 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.76 -54.76 9.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.5 -52.65 62.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -46.76 -39.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -69.21 -35.28 76.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' ALA . 35.4 mtt180 -72.26 -11.72 60.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 29.4 mt-30 -93.26 -29.02 15.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.49 -7.68 52.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -6.66 33.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.633 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 39.2 mt-10 -66.58 -43.35 50.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -75.06 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.83 -8.57 14.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.463 ' NE2' HD12 ' A' ' 20' ' ' ILE . 10.2 tt0 -129.03 144.7 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.604 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -122.82 130.41 52.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.1 t -112.8 110.99 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.547 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -123.63 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 t -114.39 113.4 43.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 16' ' ' ILE . 82.8 p -134.26 142.58 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.584 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -114.56 148.39 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.71 129.3 41.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 66' ' ' GLU . 32.0 mt -107.9 171.65 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.9 p -40.78 160.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -68.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -167.78 178.32 5.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 108' ' ' MET . . . -133.17 172.96 11.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -36.78 97.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 107' ' ' ALA . 18.3 Cg_endo -74.99 -176.7 3.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.85 115.88 30.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.558 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -66.74 179.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 151.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -162.37 100.39 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.6 t -50.74 110.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 57.49 98.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -54.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 m 45.32 94.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 p -71.8 110.47 6.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -167.78 118.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.956 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p -155.78 140.09 16.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.7 -155.51 30.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 p -156.2 152.73 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -80.38 81.57 6.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.058 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.45 -84.26 1.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 9' ' ' THR . . . -105.06 -74.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 0.744 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.498 HG21 HD22 ' A' ' 13' ' ' LEU . 0.5 OUTLIER 62.23 153.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.95 -50.16 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.16 164.04 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 68.95 86.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD22 HG21 ' A' ' 9' ' ' THR . 0.3 OUTLIER -102.68 127.71 49.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.0 t0 80.8 166.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.69 40.32 2.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.48 HD12 ' HG3' ' A' ' 101' ' ' ARG . 9.2 mm -105.18 137.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 31.1 p-80 -134.09 106.68 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.634 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -73.44 152.82 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.665 ' OG1' HG21 ' A' ' 60' ' ' THR . 0.8 OUTLIER -128.18 119.79 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.436 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.673 HD12 ' NE2' ' A' ' 95' ' ' GLN . 19.3 mm -96.41 107.61 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -89.92 127.24 35.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -101.87 108.06 19.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -142.02 -174.58 4.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -106.7 172.28 6.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.353 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 3.8 mt-10 -65.58 103.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.37 28.98 23.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.09 -33.04 15.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.73 164.42 32.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' CD1' ' CE1' ' A' ' 31' ' ' PHE . 2.3 mt -91.28 -46.12 8.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.552 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.24 -6.49 10.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CE1' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p90 -133.47 169.0 17.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.401 ' C ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -122.1 177.61 5.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 70' ' ' ILE . 7.8 mt -104.6 160.34 15.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -144.32 151.94 40.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 79.9 178.54 51.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.537 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -177.99 -173.14 43.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -75.4 -44.87 42.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.56 -24.03 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.8 mp -74.88 175.35 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.81 -41.15 83.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 12.4 p30 -88.31 107.82 19.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -61.9 -44.2 97.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.74 HG21 ' OE2' ' A' ' 66' ' ' GLU . 11.6 p -83.57 129.69 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.575 ' HB ' HD13 ' A' ' 75' ' ' LEU . 1.8 mp -70.0 153.87 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.671 HG22 ' HA ' ' A' ' 66' ' ' GLU . 2.1 p -138.85 172.68 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 61' ' ' ILE . 39.3 t -78.47 98.94 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.924 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 15.3 t-160 -53.71 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.561 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -146.8 158.88 44.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' PHE . 22.3 t -127.94 97.22 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.0 m-30 -37.78 153.44 0.13 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.5 5.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -116.1 86.36 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.22 -163.79 13.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -96.33 -51.5 4.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' CB ' ' HB3' ' A' ' 31' ' ' PHE . . . -46.9 -25.57 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 54' ' ' LEU . 1.6 t -88.49 -45.88 9.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -57.8 -44.21 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.95 -64.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -2.81 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.665 HG21 ' OG1' ' A' ' 19' ' ' THR . 6.2 m -79.39 -48.83 13.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 98' ' ' ILE . 9.4 mt -88.76 91.82 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 36.7 mt-30 -105.6 129.33 53.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -44.81 116.3 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.15 -12.45 12.81 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 11.8 m120 -70.4 176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.74 ' OE2' HG21 ' A' ' 43' ' ' VAL . 13.9 tt0 -109.95 117.88 34.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.68 105.67 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 101' ' ' ARG . 5.5 mt -76.01 -50.91 13.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 p -153.12 168.0 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.916 HG22 ' OD1' ' A' ' 71' ' ' ASN . 20.7 mt -139.21 120.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.916 ' OD1' HG22 ' A' ' 70' ' ' ILE . 0.9 OUTLIER 73.14 6.54 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 101.39 2.32 53.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 106.47 18.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.787 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.24 147.46 42.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.575 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.9 mt -83.23 105.36 14.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 13.27 10.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 115.58 26.55 3.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.856 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -56.84 142.23 41.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 p -76.45 159.83 30.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.923 ' CD2' HD11 ' A' ' 84' ' ' LEU . 75.5 t60 -45.05 -45.97 11.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 109.6 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.523 ' HA ' HD12 ' A' ' 84' ' ' LEU . 1.6 t-160 -67.56 -60.76 2.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.856 ' HB3' HG22 ' A' ' 78' ' ' THR . 29.3 m-20 -47.9 -25.35 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -84.42 -50.17 8.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 80' ' ' HIS . 3.9 mt -51.97 -47.98 64.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.12 -56.8 17.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -48.45 -36.21 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -68.97 -33.09 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 85' ' ' ALA . 54.7 mtp180 -72.54 -14.57 61.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.44 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 mt-30 -92.76 -28.31 16.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.687 ' HB1' HD21 ' A' ' 71' ' ' ASN . . . -72.23 -5.13 33.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -99.69 -3.67 32.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.663 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER -75.7 -41.15 3.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.2 Cg_endo -74.96 174.68 12.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.538 1.809 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.33 -16.39 27.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.673 ' NE2' HD12 ' A' ' 20' ' ' ILE . 1.2 tm0? -129.04 148.51 51.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.2 132.14 39.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.05 122.7 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 61' ' ' ILE . 4.5 mp -128.86 120.47 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 HD12 ' A' ' 68' ' ' LEU . 14.0 t -99.18 113.91 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 98' ' ' ILE . 80.9 p -133.76 156.22 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -100.58 161.16 13.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.551 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 1.1 mmpt? -80.17 107.63 13.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 66' ' ' GLU . 7.6 mt -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.6 p -39.73 157.42 0.14 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -116.48 137.77 51.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.02 129.41 35.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.49 81.03 0.5 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.49 5.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -153.9 86.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.3 OUTLIER -68.0 177.72 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.41 138.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.5 p -175.23 77.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.92 170.47 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -79.67 134.53 13.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.49 4.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 t 59.77 154.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.2 m -106.4 -56.93 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 p -151.72 158.98 44.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -177.44 139.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.25 -136.63 4.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 167.52 23.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -163.57 123.96 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.96 175.74 21.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.84 156.74 47.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -161.71 157.77 24.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.389 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mt -95.88 166.31 11.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.363 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -114.24 -65.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 139.89 19.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 14' ' ' ASP . 2.1 tt -176.28 126.7 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' HD23 ' A' ' 13' ' ' LEU . 12.7 t0 66.72 154.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.14 58.29 2.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.588 HD13 ' HB3' ' A' ' 101' ' ' ARG . 4.0 mm -115.41 119.05 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -124.31 116.4 22.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.564 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.47 143.22 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.889 ' OG1' HG21 ' A' ' 60' ' ' THR . 1.1 m -123.75 110.53 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.666 HD13 ' CG2' ' A' ' 97' ' ' VAL . 16.6 mm -86.51 107.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -91.98 128.77 37.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' A' ' 20' ' ' ILE . 33.9 m-70 -106.24 106.17 16.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.625 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HB3' HD11 ' A' ' 54' ' ' LEU . 1.8 pttp -135.15 -174.6 3.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 27' ' ' ALA . 3.0 mt-10 -102.44 171.29 7.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -64.08 102.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.59 42.47 21.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -97.22 -20.33 18.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.49 135.44 7.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.555 1.16 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 96' ' ' ALA . 80.9 mt -64.65 -47.85 76.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.763 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 122.8 -9.43 9.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.543 ' HE1' HD13 ' A' ' 29' ' ' LEU . 8.0 p90 -136.22 169.73 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.6 p -122.71 172.45 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.702 HD13 HG21 ' A' ' 44' ' ' ILE . 4.9 mt -100.65 156.2 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.933 ' HB2' ' CB ' ' A' ' 47' ' ' HIS . . . -141.95 132.87 25.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.45 167.99 21.11 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' ASN . . . -175.98 147.57 8.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -54.25 -34.84 61.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.0 -23.34 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -86.77 179.46 6.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.66 -30.14 69.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.5 p30 -93.72 134.97 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER -100.33 -17.13 17.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 45' ' ' THR . 1.4 t -101.03 114.06 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.702 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -70.12 113.61 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 65' ' ' ASN . 2.1 p -104.13 166.11 10.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.434 HG21 HG23 ' A' ' 61' ' ' ILE . 48.7 t -68.93 101.46 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.933 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 5.3 t-160 -52.94 -61.44 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.651 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.43 153.88 36.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -117.82 93.83 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 6.1 m-30 -37.68 153.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -27.76 9.8 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -116.41 85.69 2.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.71 -170.2 27.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 23' ' ' LYS . 1.7 mt -91.71 -52.08 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -44.79 -30.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -50.6 12.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -57.25 -49.04 77.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.263 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' HG2' HG23 ' A' ' 19' ' ' THR . 1.9 tp10 -58.28 -41.43 84.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.82 -1.11 63.63 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.889 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -78.04 -48.86 15.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 98' ' ' ILE . 17.2 mt -81.12 90.87 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 77.8 mt-30 -100.83 138.39 37.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -48.72 131.61 17.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.31 -16.15 60.34 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 45' ' ' THR . 2.4 m120 -59.64 156.64 13.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.591 ' CB ' HD11 ' A' ' 103' ' ' LEU . 2.3 tt0 -93.54 110.64 22.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.561 ' O ' HD11 ' A' ' 75' ' ' LEU . 97.1 t -84.71 84.53 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD12 ' C ' ' A' ' 99' ' ' VAL . 1.8 mt -48.97 -52.98 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.42 170.22 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.038 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -133.93 105.59 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 82.82 -2.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -7.32 11.86 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 116.9 28.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.18 155.53 27.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD13 ' HB ' ' A' ' 44' ' ' ILE . 1.2 mt -91.23 102.62 15.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.38 14.43 8.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 119.12 27.62 2.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.817 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.13 144.86 52.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -72.32 -179.13 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' O ' HD22 ' A' ' 84' ' ' LEU . 70.3 t60 -66.73 -35.64 80.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -81.12 -57.31 3.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.592 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.837 ' O ' HD12 ' A' ' 86' ' ' ILE . 81.2 m-20 -43.93 -29.27 0.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.99 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.691 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.74 -54.51 9.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -55.41 -55.22 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -48.66 -36.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.863 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -72.62 -33.53 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' ALA . 53.1 mtt180 -69.53 -14.17 62.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -91.18 -31.24 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.15 -7.61 50.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -97.94 -7.27 30.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 2.5 mm-40 -67.96 -43.81 38.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.97 -167.95 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' CG ' ' HA ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -104.46 -18.71 14.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 8.5 tt0 -126.72 149.86 49.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -140.48 140.49 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.666 ' CG2' HD13 ' A' ' 20' ' ' ILE . 2.1 t -116.89 115.53 49.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.594 HD13 HD11 ' A' ' 61' ' ' ILE . 4.2 mp -116.63 117.86 56.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.553 HG12 ' CG2' ' A' ' 16' ' ' ILE . 3.1 t -95.49 117.45 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.51 ' CG2' HG22 ' A' ' 98' ' ' ILE . 9.2 p -141.75 172.89 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.588 ' HB3' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -136.05 149.07 48.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' N ' ' HE2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.33 110.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.591 HD11 ' CB ' ' A' ' 66' ' ' GLU . 97.4 mt -102.41 143.17 32.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 50.1 p -40.08 157.58 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.72 24.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -175.58 151.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' ' 108' ' ' MET . . . -174.42 140.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.233 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.484 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER 166.79 -52.89 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 108' ' ' MET . 18.4 Cg_endo -74.97 88.24 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.17 125.47 13.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.63 ' H ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -90.19 -77.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.0 t30 45.19 76.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 p -155.82 160.03 39.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.3 m -134.22 168.88 18.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.89 121.91 2.34 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.65 5.89 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.455 1.766 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 t -162.06 156.86 22.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.85 149.08 24.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -177.79 144.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 0.798 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 p -171.7 164.28 6.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.997 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 172.72 31.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -135.19 171.87 13.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.27 139.22 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.968 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 142.68 16.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.546 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.17 131.26 36.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.783 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -96.3 161.95 13.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 tp -93.58 68.04 4.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.2 157.09 35.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -177.9 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.53 97.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 175.06 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.0 24.7 74.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 99' ' ' VAL . 6.1 mm -103.46 122.55 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -119.59 128.34 53.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.3 t -84.22 150.0 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.492 HG22 HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -130.49 128.57 41.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.739 ' CD1' HG22 ' A' ' 97' ' ' VAL . 11.6 mm -111.56 108.41 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -93.67 136.62 33.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CE1' HG22 ' A' ' 20' ' ' ILE . 14.3 m-70 -116.34 106.86 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.634 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -134.69 165.2 25.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -78.48 163.38 25.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -50.99 106.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 23.58 61.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -77.64 -33.04 53.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.45 161.98 36.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -83.77 -37.86 22.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.768 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' PHE . . . 117.01 0.68 19.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 29' ' ' LEU . 13.0 p90 -145.72 170.85 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.766 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.03 172.87 9.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.912 HD11 HD12 ' A' ' 70' ' ' ILE . 4.4 mt -99.61 156.24 17.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.879 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -142.19 150.97 41.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.551 ' C ' HD22 ' A' ' 39' ' ' LEU . . . 82.63 177.54 51.98 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' HA2' HD11 ' A' ' 44' ' ' ILE . . . -179.89 178.89 48.77 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 77' ' ' GLY . . . -68.48 -44.0 75.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -72.79 -23.95 60.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD22 ' C ' ' A' ' 35' ' ' GLY . 7.0 mp -76.85 173.5 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.21 -38.87 92.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' ND2' ' HA3' ' A' ' 35' ' ' GLY . 7.3 p30 -91.77 106.34 18.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -58.31 -45.85 87.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -82.02 136.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -79.53 140.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.858 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.4 p -125.74 169.1 12.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.37 101.36 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.2 t-160 -54.51 -61.39 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -149.29 154.89 39.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 56' ' ' SER . 16.5 t -120.86 96.86 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 30' ' ' GLY . 7.6 m-30 -38.5 153.81 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -28.69 9.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -117.28 86.33 2.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.24 -174.54 32.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 23' ' ' LYS . 8.3 mt -89.94 -54.09 4.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' HB ' ' A' ' 61' ' ' ILE . . . -47.26 -25.97 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.444 ' CB ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -88.52 -35.43 16.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -74.33 -41.85 60.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.01 -49.6 75.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.65 72.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.463 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.2 m -84.5 -48.04 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.759 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' HB ' ' HB1' ' A' ' 55' ' ' ALA . 9.4 mt -90.55 91.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.445 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 35.5 mt-30 -105.75 132.21 52.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.464 ' CE ' ' HG3' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -42.17 134.4 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.66 -23.01 37.31 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 13.2 m120 -60.33 165.77 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.858 ' HA ' HG22 ' A' ' 45' ' ' THR . 5.3 tt0 -102.43 119.4 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.0 t -85.55 122.95 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.709 HD21 ' HD3' ' A' ' 101' ' ' ARG . 4.1 mt -89.15 -50.33 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -157.01 166.71 32.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.912 HD12 HD11 ' A' ' 33' ' ' LEU . 31.7 mt -145.79 123.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.3 t-20 82.25 -2.4 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.94 6.87 42.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.143 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -103.85 110.65 22.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.22 153.36 40.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 44' ' ' ILE . 4.2 mt -84.79 105.41 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 13.43 10.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.632 ' O ' ' HB2' ' A' ' 37' ' ' ALA . . . 116.23 26.4 3.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.798 HG22 ' CB ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -61.67 143.06 56.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.386 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.0 p -66.51 -167.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -75.39 -36.47 60.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.7 t-160 -77.37 -66.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.551 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.798 ' CB ' HG22 ' A' ' 78' ' ' THR . 4.0 m-20 -40.66 -29.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' A' ' 81' ' ' HIS . . . -85.38 -46.8 10.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -60.21 -44.33 95.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -59.64 -57.06 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 82' ' ' ASP . 0.3 OUTLIER -45.25 -43.58 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -61.53 -36.05 79.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.556 ' N ' HD13 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -70.24 -26.84 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.2 mt-30 -84.02 -30.62 25.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.77 -8.29 55.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HA ' ' HZ1' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -97.39 -5.87 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 65.9 mt-10 -64.44 -42.87 69.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.98 174.03 13.48 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.809 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -84.87 -12.98 52.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 5.1 tt0 -133.42 149.0 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 95' ' ' GLN . . . -137.5 151.18 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.739 HG22 ' CD1' ' A' ' 20' ' ' ILE . 2.5 t -120.91 126.09 74.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.481 HG22 HG23 ' A' ' 100' ' ' THR . 3.2 mp -134.58 127.93 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 16' ' ' ILE . 2.9 t -103.71 115.06 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.481 HG23 HG22 ' A' ' 98' ' ' ILE . 24.4 p -136.01 151.41 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.709 ' HD3' HD21 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -126.88 161.31 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' HD23 ' A' ' 103' ' ' LEU . 14.5 tppt? -90.05 129.03 36.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -122.24 -87.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.1 p -39.46 159.2 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 164.4 33.46 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.94 167.32 11.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -94.41 -61.3 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.9 mtt -170.03 83.35 0.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.02 4.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.8 94.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -70.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.68 -66.69 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -172.13 168.36 5.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.5 p -110.19 120.9 43.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.051 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 178.39 96.81 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 178.51 7.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.5 p -169.6 174.55 5.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.5 p -153.33 168.61 25.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.949 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.92 170.84 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -156.51 170.0 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.41 176.35 44.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.73 170.87 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.26 -61.58 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.26 173.34 49.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.94 168.16 26.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.5 m -154.1 135.33 14.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.87 140.59 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.78 153.95 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 3.3 tt0 -178.06 61.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -172.93 152.41 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -46.78 164.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.67 55.65 4.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 101' ' ' ARG . 4.3 mm -121.29 150.77 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -139.36 119.78 13.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.608 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -76.12 147.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.899 HG21 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -118.57 119.66 35.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.382 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG23 ' CD ' ' A' ' 95' ' ' GLN . 47.7 mm -117.89 108.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' CD2' HG23 ' A' ' 19' ' ' THR . 3.7 mm? -112.2 130.46 55.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -101.17 100.64 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.4 pttp -115.4 -179.86 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.237 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' ALA . 7.8 mt-10 -97.4 161.52 13.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 94' ' ' ARG . 2.6 mm-40 -43.45 120.29 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.35 35.25 43.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 24' ' ' GLU . . . -78.25 -33.34 49.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.82 167.05 28.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 31' ' ' PHE . 12.4 mt -93.96 -47.45 6.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 0.753 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' O ' ' CG ' ' A' ' 50' ' ' PHE . . . 119.24 -9.9 11.88 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 29' ' ' LEU . 14.3 p90 -127.71 169.94 13.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -126.96 173.34 9.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.041 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD13 HG21 ' A' ' 44' ' ' ILE . 6.1 mt -97.54 161.79 13.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.764 ' HB2' ' HB2' ' A' ' 47' ' ' HIS . . . -131.42 151.49 51.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' OD1' ' A' ' 41' ' ' ASN . . . 53.02 -163.68 2.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.16 -141.62 3.17 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 77' ' ' GLY . . . -101.45 -53.11 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 0.794 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -80.02 -13.22 59.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 35' ' ' GLY . 8.9 mp -67.16 179.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.94 -34.61 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.501 ' OD1' ' HA3' ' A' ' 35' ' ' GLY . 2.3 p30 -109.97 171.53 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' CD ' ' HA ' ' A' ' 37' ' ' ALA . 9.9 tptp -113.9 -44.42 3.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' OE2' ' A' ' 66' ' ' GLU . 13.4 p -87.48 118.91 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.638 HG21 HD13 ' A' ' 33' ' ' LEU . 1.8 mp -59.7 153.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 66' ' ' GLU . 1.6 p -140.07 168.28 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.446 HG21 ' CG2' ' A' ' 61' ' ' ILE . 34.8 t -75.97 96.03 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 3.7 t-160 -53.92 -57.37 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.66 159.08 43.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.21 97.33 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 7.8 m-30 -37.5 152.24 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -26.03 11.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -116.89 86.31 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.93 -169.47 24.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -91.96 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.03 -34.8 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 -46.61 29.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.039 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -48.77 72.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.103 . . . . 0.0 110.327 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 21' ' ' LEU . 2.4 tp10 -67.27 -57.21 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.2 5.58 58.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.742 HG21 ' OG1' ' A' ' 19' ' ' THR . 1.7 m -74.59 -47.09 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 0.749 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.899 HD11 HG21 ' A' ' 19' ' ' THR . 11.3 mt -96.68 97.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.484 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 34.9 mt-30 -108.13 143.86 36.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -50.98 132.5 27.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.58 14.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 62' ' ' GLN . 18.6 m120 -54.01 171.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 45' ' ' THR . 1.4 tt0 -107.7 127.27 53.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -100.27 114.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.701 HD21 ' HD2' ' A' ' 101' ' ' ARG . 2.7 mt -85.25 -47.45 10.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 p -147.84 166.62 27.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 0.1 OUTLIER -144.33 121.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 1.1 t-20 79.36 -0.53 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.07 2.52 39.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -103.11 118.46 36.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.98 158.94 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.938 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -88.11 104.71 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.09 12.28 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 37' ' ' ALA . . . 115.98 26.64 3.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -58.45 139.82 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.396 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 p -75.33 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.902 ' O ' HD22 ' A' ' 84' ' ' LEU . 42.2 t60 -63.38 -40.58 97.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.583 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -74.24 -59.13 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.878 ' HB3' HG22 ' A' ' 78' ' ' THR . 3.3 m-20 -49.67 -25.61 3.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.4 -53.6 5.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.902 HD22 ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -50.09 -47.88 53.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -60.06 -58.24 9.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.834 HD12 ' O ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -46.82 -41.73 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.252 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -64.84 -34.57 78.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 85' ' ' ALA . 1.9 ptt180 -70.25 -29.7 66.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 88' ' ' ARG . 5.4 mt-30 -79.31 -30.76 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' C ' ' HD2' ' A' ' 93' ' ' PRO . . . -71.29 -7.73 48.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -95.16 -9.7 32.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' A' ' 93' ' ' PRO . 73.5 mt-10 -61.44 -43.52 89.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 18.5 Cg_endo -74.93 175.23 11.48 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mpt_? -92.69 -11.66 33.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.432 ' CD ' HG23 ' A' ' 20' ' ' ILE . 7.6 tt0 -130.69 143.3 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.443 ' CB ' HD22 ' A' ' 29' ' ' LEU . . . -121.5 145.41 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ASN . 2.2 t -122.57 111.8 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.552 HD13 HD11 ' A' ' 61' ' ' ILE . 3.9 mp -124.07 138.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.641 HG12 HD12 ' A' ' 68' ' ' LEU . 25.5 t -116.81 113.4 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.493 HG23 HG22 ' A' ' 98' ' ' ILE . 73.4 p -131.23 157.29 43.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.701 ' HD2' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -97.56 160.83 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.22 102.69 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.7 mt -114.87 144.21 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.474 ' OG1' ' HD2' ' A' ' 105' ' ' PRO . 0.5 OUTLIER -82.71 166.89 33.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.474 ' HD2' ' OG1' ' A' ' 104' ' ' THR . 18.3 Cg_endo -74.98 142.91 28.49 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.12 165.05 25.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -115.56 -55.71 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 8.0 tpp 57.06 93.34 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 148.04 35.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.52 123.42 4.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.5 mp -42.77 -63.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.37 153.18 21.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.25 120.99 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.99 136.19 54.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -124.73 -167.83 12.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 152.66 41.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.15 149.03 29.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.6 m -49.03 167.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 stop_ save_